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

Systemtic Name: (phenylmethyl) 2-[[1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidin-4-yl]amino]but-3-enoate Openeye Name: benzyl 2-[[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]amino]but-3-enoate CAS Name: 2-[[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-4-piperidinyl]amino]-3-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]amino]but-3-enoate Traditional Name: 2-[[1-[4-[besyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]amino]but-3-enoic acid benzyl ester Formula: C33H41N3O4S MolecularWeight: 575.76134

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)NC(C=C)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CC(CCN1CCC(CC1)NC(C=C)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H41N3O4S/c1-3-32(33(37)40-26-27-13-7-4-8-14-27)34-30-20-23-36(24-21-30)22-19-29(28-15-9-5-10-16-28)25-35(2)41(38,39)31-17-11-6-12-18-31/h3-18,29-30,32,34H,1,19-26H2,2H3