N-[4-[[4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-[4-[ethanoyl-(phenylmethyl)amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

Systemtic Name: N-[4-[[4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-[4-[ethanoyl-(phenylmethyl)amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide Openeye Name: 4-[4-[acetyl(benzyl)amino]phenyl]-N-[4-[[3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-3,6-dihydro-2H-pyridine-1-carboxamide CAS Name: 4-[4-[acetyl-(phenylmethyl)amino]phenyl]-N-[4-[[4-(dimethylamino)-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonyl-3,6-dihydro-2H-pyridine-1-carboxamide IUPAC Name: 4-[4-[acetyl(benzyl)amino]phenyl]-N-[4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonyl-3,6-dihydro-2H-pyridine-1-carboxamide Traditional Name: 4-[4-[acetyl(benzyl)amino]phenyl]-N-[4-[[3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-3,6-dihydro-2H-pyridine-1-carboxamide Formula: C39H44N6O6S2 MolecularWeight: 756.93326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C3=CCN(CC3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN(C)C)CSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C3=CCN(CC3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN(C)C)CSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C39H44N6O6S2/c1-29(46)44(27-30-10-6-4-7-11-30)34-16-14-31(15-17-34)32-20-24-43(25-21-32)39(47)41-53(50,51)36-18-19-37(38(26-36)45(48)49)40-33(22-23-42(2)3)28-52-35-12-8-5-9-13-35/h4-20,26,33,40H,21-25,27-28H2,1-3H3,(H,41,47)