[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 1-indan-5-ylsulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinecarboxylic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-indan-5-ylsulfonylisonipecotic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C24H27ClN2O5S MolecularWeight: 490.99958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)Cl

InChI

InChI=1S/C24H27ClN2O5S/c1-16-5-7-20(14-22(16)25)26-23(28)15-32-24(29)18-9-11-27(12-10-18)33(30,31)21-8-6-17-3-2-4-19(17)13-21/h5-8,13-14,18H,2-4,9-12,15H2,1H3,(H,26,28)