(2-piperidin-1-ylcarbonylphenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-piperidin-1-ylcarbonylphenyl) 4-methylbenzenesulfonate Openeye Name: [2-(piperidine-1-carbonyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[oxo(1-piperidinyl)methyl]phenyl] ester IUPAC Name: [2-(piperidine-1-carbonyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(piperidine-1-carbonyl)phenyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)N3CCCCC3

InChI

InChI=1S/C19H21NO4S/c1-15-9-11-16(12-10-15)25(22,23)24-18-8-4-3-7-17(18)19(21)20-13-5-2-6-14-20/h3-4,7-12H,2,5-6,13-14H2,1H3