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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) (2R)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2R)-1-tosylpipecolinic 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)N2CCCCC2C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-16-10-12-18(13-11-16)29(26,27)23-14-6-5-9-19(23)21(25)28-15-20(24)22-17-7-3-2-4-8-17/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,22,24)/t19-/m1/s1