ethyl 3-[1-[methyl(phenylsulfonyl)amino]-4-(4-phenylpiperidin-1-yl)butan-2-yl]benzoate

Systemtic Name: ethyl 3-[1-[methyl(phenylsulfonyl)amino]-4-(4-phenylpiperidin-1-yl)butan-2-yl]benzoate Openeye Name: ethyl 3-[1-[[benzenesulfonyl(methyl)amino]methyl]-3-(4-phenyl-1-piperidyl)propyl]benzoate CAS Name: 3-[1-[benzenesulfonyl(methyl)amino]-4-(4-phenyl-1-piperidinyl)butan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[1-[benzenesulfonyl(methyl)amino]-4-(4-phenylpiperidin-1-yl)butan-2-yl]benzoate Traditional Name: 3-[1-[[besyl(methyl)amino]methyl]-3-(4-phenylpiperidino)propyl]benzoic acid ethyl ester Formula: C31H38N2O4S MolecularWeight: 534.70942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)C(CCN2CCC(CC2)C3=CC=CC=C3)CN(C)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)C(CCN2CCC(CC2)C3=CC=CC=C3)CN(C)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H38N2O4S/c1-3-37-31(34)28-14-10-13-27(23-28)29(24-32(2)38(35,36)30-15-8-5-9-16-30)19-22-33-20-17-26(18-21-33)25-11-6-4-7-12-25/h4-16,23,26,29H,3,17-22,24H2,1-2H3