[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-(2,4-dimethylanilino)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-16-11-12-19(17(2)14-16)23-21(25)15-29-22(26)20-10-6-7-13-24(20)30(27,28)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,20H,6-7,10,13,15H2,1-2H3,(H,23,25)