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

Systemtic Name: N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(6-methoxypyridin-3-yl)benzamide Openeye Name: N-[4-[[5-amino-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(6-methoxy-3-pyridyl)benzamide CAS Name: N-[4-[[6-amino-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(6-methoxy-3-pyridinyl)benzamide IUPAC Name: N-[4-[(6-amino-1-phenylsulfanylhexan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-(6-methoxypyridin-3-yl)benzamide Traditional Name: N-[4-[[5-amino-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(6-methoxy-3-pyridyl)benzamide Formula: C31H33N5O6S2 MolecularWeight: 635.75362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(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=NC=C(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/C31H33N5O6S2/c1-42-30-17-14-24(20-33-30)22-10-12-23(13-11-22)31(37)35-44(40,41)27-15-16-28(29(19-27)36(38)39)34-25(7-5-6-18-32)21-43-26-8-3-2-4-9-26/h2-4,8-17,19-20,25,34H,5-7,18,21,32H2,1H3,(H,35,37)