(2,3,6-trimethylphenyl) 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (2,3,6-trimethylphenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25NO4S/c1-15-9-10-16(2)20(17(15)3)26-21(23)18-11-13-22(14-12-18)27(24,25)19-7-5-4-6-8-19/h4-10,18H,11-14H2,1-3H3