[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-(4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2S)-1-tosylpipecolinic acid [2-(4-chloroanilino)-2-keto-ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c1-15-5-11-18(12-6-15)30(27,28)24-13-3-2-4-19(24)21(26)29-14-20(25)23-17-9-7-16(22)8-10-17/h5-12,19H,2-4,13-14H2,1H3,(H,23,25)/t19-/m0/s1