N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(4-methoxy-2-oxidanylidene-pyridin-1-yl)benzamide

Systemtic Name: N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(4-methoxy-2-oxidanylidene-pyridin-1-yl)benzamide Openeye Name: N-[4-[[5-amino-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-methoxy-2-oxo-1-pyridyl)benzamide CAS Name: N-[4-[[6-amino-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-methoxy-2-oxo-1-pyridinyl)benzamide IUPAC Name: N-[4-[(6-amino-1-phenylsulfanylhexan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-(4-methoxy-2-oxopyridin-1-yl)benzamide Traditional Name: N-[4-[[5-amino-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(2-keto-4-methoxy-1-pyridyl)benzamide Formula: C31H33N5O7S2 MolecularWeight: 651.75302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)N(C=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCN)CSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=O)N(C=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCN)CSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H33N5O7S2/c1-43-25-16-18-35(30(37)19-25)24-12-10-22(11-13-24)31(38)34-45(41,42)27-14-15-28(29(20-27)36(39)40)33-23(7-5-6-17-32)21-44-26-8-3-2-4-9-26/h2-4,8-16,18-20,23,33H,5-7,17,21,32H2,1H3,(H,34,38)