(2-oxidanylidene-2-phenylazanyl-ethyl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (2-anilino-2-keto-ethyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-16-7-9-19(10-8-16)29(26,27)23-13-11-17(12-14-23)21(25)28-15-20(24)22-18-5-3-2-4-6-18/h2-10,17H,11-15H2,1H3,(H,22,24)