2-[1-(phenylcarbonyl)piperidin-4-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1-(phenylcarbonyl)piperidin-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1-benzoyl-4-piperidyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1-benzoyl-4-piperidinyl)ethyl ester IUPAC Name: 2-(1-benzoylpiperidin-4-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1-benzoyl-4-piperidyl)ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c1-17-7-9-20(10-8-17)27(24,25)26-16-13-18-11-14-22(15-12-18)21(23)19-5-3-2-4-6-19/h2-10,18H,11-16H2,1H3