methyl 1-[4-methyl-3-(phenylsulfonylamino)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-methyl-3-(phenylsulfonylamino)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[3-(benzenesulfonamido)-4-methyl-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-(benzenesulfonamido)-4-methylphenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(benzenesulfonamido)-4-methylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(benzenesulfonamido)-4-methyl-benzoyl]isonipecotic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-15-8-9-17(20(24)23-12-10-16(11-13-23)21(25)28-2)14-19(15)22-29(26,27)18-6-4-3-5-7-18/h3-9,14,16,22H,10-13H2,1-2H3