[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenyl-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(3,5-dichloroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H22Cl2N2O5S MolecularWeight: 485.38078

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O5S/c1-31(28,29)25-9-7-15(8-10-25)21(27)30-19(14-5-3-2-4-6-14)20(26)24-18-12-16(22)11-17(23)13-18/h2-6,11-13,15,19H,7-10H2,1H3,(H,24,26)