5288859 -OEChem-10051720283D 32 33 0 1 0 0 0 0 0999 V2000 1.6734 1.6547 -0.1842 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2767 1.3803 -0.1918 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8332 -0.0080 0.0944 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 2.4600 1.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5957 2.2215 -1.5137 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3567 -1.0816 0.9212 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2217 1.3684 0.3495 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5959 -2.3627 -0.6804 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1263 -0.3731 -1.5466 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9813 0.4107 -0.1391 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3913 -1.5459 0.5172 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6478 -0.7112 0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.6950 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 0.6460 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 1.0726 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 -1.1221 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0787 -0.0969 0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7613 -3.2179 -0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0446 -0.0008 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1823 -2.2108 1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 -0.2448 1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5229 -1.3512 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 1.8786 -0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 1.5060 1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1314 0.3454 0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -2.1329 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7207 -1.7729 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7029 -2.6741 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 -3.9790 -1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7614 -3.7524 0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9169 -1.3305 -1.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9945 -0.0066 -1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 9 1 0 0 0 0 3 17 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 8 27 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 M END > DB04081 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PYXFWOIZPYXNRU-FSPLSTOPSA-N/SDF?record_type=3d > [H][C@]1(C)C[C@]([H])(NC)C2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O > InChI=1S/C9H14N2O4S3/c1-5-3-7(11-2)6-4-8(18(10,14)15)16-9(6)17(5,12)13/h4-5,7,11H,3H2,1-2H3,(H2,10,14,15)/t5-,7-/m0/s1 > PYXFWOIZPYXNRU-FSPLSTOPSA-N > C9H14N2O4S3 > 310.413 > 310.011569016 > 5 > 32 > 0.35087453322153345 > 29.540481000775433 > 1 > 2 > 0 > 0 > (2S,4S)-2-methyl-4-(methylamino)-1,1-dioxo-2H,3H,4H-1lambda6-thieno[2,3-b]thiopyran-6-sulfonamide > -0.59 > -0.47771890553418905 > -2.46 > 0 > 1 > 2 > 0 > 15.783703144902987 > 8.157963089475206 > 6.859431092627011 > 106.32999999999998 > 67.7125 > 2 > 1 > 1.08e+00 g/l > tetrahydrofolic acid > 0 $$$$