4911 -OEChem-10051719283D 38 38 0 0 0 0 0 0 0999 V2000 1.1748 0.1348 -1.4334 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4633 -1.1317 -2.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2883 1.3665 -2.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0133 1.0624 0.7619 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0391 -1.2043 0.9289 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 0.2643 0.0138 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8466 1.4271 0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -0.9781 0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1099 1.7908 1.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -1.6597 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4846 0.0462 -0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 2.1763 0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9037 -2.9477 1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0308 -1.1913 -0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 1.2164 -0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3379 -1.2612 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 1.1466 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0755 -0.0922 0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4382 -0.1651 0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5397 2.2941 0.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 1.1942 1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4275 -0.7929 1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5107 -1.6616 0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 2.6454 2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4451 0.9847 2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5621 -1.8852 -0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4870 -0.9874 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5563 1.3448 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 3.0105 0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1162 2.4941 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0255 -2.7526 2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -3.6605 0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8222 -3.4171 0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4743 -2.1128 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7726 2.1899 -0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7634 -2.2360 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0441 2.0811 -0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9316 1.0022 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 4 19 1 0 0 0 0 4 38 1 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 M END > DB01032 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DBABZHXKTCFAPX-UHFFFAOYSA-N/SDF?record_type=3d > CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O > InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) > DBABZHXKTCFAPX-UHFFFAOYSA-N > C13H19NO4S > 285.359 > 285.103478791 > 4 > 38 > -0.9996578622221707 > 29.963000414701327 > 1 > 1 > 0 > 1 > 4-(dipropylsulfamoyl)benzoic acid > 1.52 > 2.442872324333333 > -2.83 > 0 > -1 > 1 > -1 > 3.534349644303132 > 74.67999999999999 > 73.8107 > 6 > 1 > 4.25e-01 g/l > tetrahydrofolic acid > 0 $$$$