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

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C30H34N2O6S MolecularWeight: 550.66576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H34N2O6S/c1-2-37-27-13-15-28(16-14-27)39(35,36)32-19-17-26(18-20-32)30(34)38-23-29(33)31(21-24-9-5-3-6-10-24)22-25-11-7-4-8-12-25/h3-16,26H,2,17-23H2,1H3