[3-[1-(1-piperidin-1-ylethyl)piperidin-4-yl]carbonylphenyl] 2-methylbenzenesulfonate

Systemtic Name: [3-[1-(1-piperidin-1-ylethyl)piperidin-4-yl]carbonylphenyl] 2-methylbenzenesulfonate Openeye Name: [3-[1-[1-(1-piperidyl)ethyl]piperidine-4-carbonyl]phenyl] 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [3-[oxo-[1-[1-(1-piperidinyl)ethyl]-4-piperidinyl]methyl]phenyl] ester IUPAC Name: [3-[1-(1-piperidin-1-ylethyl)piperidine-4-carbonyl]phenyl] 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid [3-[1-(1-piperidinoethyl)isonipecotoyl]phenyl] ester Formula: C26H34N2O4S MolecularWeight: 470.62416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OC2=CC=CC(=C2)C(=O)C3CCN(CC3)C(C)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OC2=CC=CC(=C2)C(=O)C3CCN(CC3)C(C)N4CCCCC4

InChI

InChI=1S/C26H34N2O4S/c1-20-9-4-5-12-25(20)33(30,31)32-24-11-8-10-23(19-24)26(29)22-13-17-28(18-14-22)21(2)27-15-6-3-7-16-27/h4-5,8-12,19,21-22H,3,6-7,13-18H2,1-2H3