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

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25ClN2O6S/c1-15-19(23)4-3-5-20(15)24-21(26)14-31-22(27)16-10-12-25(13-11-16)32(28,29)18-8-6-17(30-2)7-9-18/h3-9,16H,10-14H2,1-2H3,(H,24,26)