[3-[1-(1-phenylethyl)piperidin-4-yl]carbonylphenyl] 3-chloranylbenzenesulfonate

Systemtic Name: [3-[1-(1-phenylethyl)piperidin-4-yl]carbonylphenyl] 3-chloranylbenzenesulfonate Openeye Name: [3-[1-(1-phenylethyl)piperidine-4-carbonyl]phenyl] 3-chlorobenzenesulfonate CAS Name: 3-chlorobenzenesulfonic acid [3-[oxo-[1-(1-phenylethyl)-4-piperidinyl]methyl]phenyl] ester IUPAC Name: [3-[1-(1-phenylethyl)piperidine-4-carbonyl]phenyl] 3-chlorobenzenesulfonate Traditional Name: 3-chlorobenzenesulfonic acid [3-[1-(1-phenylethyl)isonipecotoyl]phenyl] ester Formula: C26H26ClNO4S MolecularWeight: 484.00694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCC(CC2)C(=O)C3=CC(=CC=C3)OS(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCC(CC2)C(=O)C3=CC(=CC=C3)OS(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H26ClNO4S/c1-19(20-7-3-2-4-8-20)28-15-13-21(14-16-28)26(29)22-9-5-11-24(17-22)32-33(30,31)25-12-6-10-23(27)18-25/h2-12,17-19,21H,13-16H2,1H3