[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C27H36N2O5S MolecularWeight: 500.65014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(CC3=CC=CC=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(CC3=CC=CC=C3)C(C)(C)C)C

InChI

InChI=1S/C27H36N2O5S/c1-20-11-12-24(17-21(20)2)35(32,33)28-15-13-23(14-16-28)26(31)34-19-25(30)29(27(3,4)5)18-22-9-7-6-8-10-22/h6-12,17,23H,13-16,18-19H2,1-5H3