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

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,4-dimethylphenyl)sulfonylisonipecotic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C30H34N2O5S MolecularWeight: 534.66636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C30H34N2O5S/c1-23-13-14-28(24(2)19-23)38(35,36)32-17-15-27(16-18-32)30(34)37-22-29(33)31(20-25-9-5-3-6-10-25)21-26-11-7-4-8-12-26/h3-14,19,27H,15-18,20-22H2,1-2H3