N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)benzamide

Systemtic Name: N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)benzamide Openeye Name: N-[4-[[5-amino-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(5-chloro-2-oxo-1-pyridyl)benzamide CAS Name: N-[4-[[6-amino-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(5-chloro-2-oxo-1-pyridinyl)benzamide IUPAC Name: N-[4-[(6-amino-1-phenylsulfanylhexan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-(5-chloro-2-oxopyridin-1-yl)benzamide Traditional Name: N-[4-[[5-amino-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(5-chloro-2-keto-1-pyridyl)benzamide Formula: C30H30ClN5O6S2 MolecularWeight: 656.1721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CCCCN)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4C=C(C=CC4=O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC(CCCCN)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4C=C(C=CC4=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C30H30ClN5O6S2/c31-22-11-16-29(37)35(19-22)24-12-9-21(10-13-24)30(38)34-44(41,42)26-14-15-27(28(18-26)36(39)40)33-23(6-4-5-17-32)20-43-25-7-2-1-3-8-25/h1-3,7-16,18-19,23,33H,4-6,17,20,32H2,(H,34,38)