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

Systemtic Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-(4-methoxy-2-oxidanylidene-pyridin-1-yl)benzamide Openeye Name: N-[4-[[5-(dimethylamino)-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-methoxy-2-oxo-1-pyridyl)benzamide CAS Name: N-[4-[[6-(dimethylamino)-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-methoxy-2-oxo-1-pyridinyl)benzamide IUPAC Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanylhexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-methoxy-2-oxopyridin-1-yl)benzamide Traditional Name: N-[4-[[5-(dimethylamino)-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(2-keto-4-methoxy-1-pyridyl)benzamide Formula: C33H37N5O7S2 MolecularWeight: 679.80618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4C=CC(=CC4=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4C=CC(=CC4=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C33H37N5O7S2/c1-36(2)19-8-7-9-25(23-46-28-10-5-4-6-11-28)34-30-17-16-29(22-31(30)38(41)42)47(43,44)35-33(40)24-12-14-26(15-13-24)37-20-18-27(45-3)21-32(37)39/h4-6,10-18,20-22,25,34H,7-9,19,23H2,1-3H3,(H,35,40)