(4-nitrophenyl)methyl 2-[[2-methyl-1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidin-4-yl]amino]but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2-methyl-1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidin-4-yl]amino]but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-[[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-2-methyl-4-piperidyl]amino]but-3-enoate CAS Name: 2-[[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-methyl-4-piperidinyl]amino]-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-methylpiperidin-4-yl]amino]but-3-enoate Traditional Name: 2-[[1-[4-[besyl(methyl)amino]-3-phenyl-butyl]-2-methyl-4-piperidyl]amino]but-3-enoic acid (4-nitrobenzyl) ester Formula: C34H42N4O6S MolecularWeight: 634.78548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)NC(C=C)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)NC(C=C)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C34H42N4O6S/c1-4-33(34(39)44-25-27-15-17-31(18-16-27)38(40)41)35-30-20-22-37(26(2)23-30)21-19-29(28-11-7-5-8-12-28)24-36(3)45(42,43)32-13-9-6-10-14-32/h4-18,26,29-30,33,35H,1,19-25H2,2-3H3