3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide

Systemtic Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]benzamide CAS Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide IUPAC Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide Traditional Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(2-hydroxy-5-nitro-benzyl)benzamide Formula: C21H19N3O6S2 MolecularWeight: 473.52206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CC2=C1SC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H19N3O6S2/c25-19-5-4-17(24(27)28)10-16(19)12-22-21(26)14-2-1-3-18(11-14)32(29,30)23-8-6-20-15(13-23)7-9-31-20/h1-5,7,9-11,25H,6,8,12-13H2,(H,22,26)