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11-[2-(pyridin-3-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid
11-[2-(pyridin-3-ylsulfonylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNS(=O)(=O)C4=CN=CC=C4
Isomeric SMILES
C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNS(=O)(=O)C4=CN=CC=C4
InChI
InChI=1S/C22H20N2O5S2/c25-22(26)15-7-8-20-19(12-15)21(18-6-2-1-4-16(18)14-29-20)30-11-10-24-31(27,28)17-5-3-9-23-13-17/h1-9,12-13,21,24H,10-11,14H2,(H,25,26)
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