[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-15-10-11-16(13-18(15)22)23-20(25)14-29-21(26)19-9-5-6-12-24(19)30(27,28)17-7-3-2-4-8-17/h2-4,7-8,10-11,13,19H,5-6,9,12,14H2,1H3,(H,23,25)