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

Systemtic Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-(1-methyl-6-oxidanylidene-pyridin-3-yl)benzamide Openeye Name: N-[4-[[5-(dimethylamino)-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(1-methyl-6-oxo-3-pyridyl)benzamide CAS Name: N-[4-[[6-(dimethylamino)-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(1-methyl-6-oxo-3-pyridinyl)benzamide IUPAC Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanylhexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(1-methyl-6-oxopyridin-3-yl)benzamide Traditional Name: N-[4-[[5-(dimethylamino)-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(6-keto-1-methyl-3-pyridyl)benzamide Formula: C33H37N5O6S2 MolecularWeight: 663.80678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=CC1=O)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCN(C)C)CSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=CC1=O)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCN(C)C)CSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C33H37N5O6S2/c1-36(2)20-8-7-9-27(23-45-28-10-5-4-6-11-28)34-30-18-17-29(21-31(30)38(41)42)46(43,44)35-33(40)25-14-12-24(13-15-25)26-16-19-32(39)37(3)22-26/h4-6,10-19,21-22,27,34H,7-9,20,23H2,1-3H3,(H,35,40)