[2-[[(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[[(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-[[(4-methoxyphenyl)-phenyl-methyl]amino]ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C23H28N2O6S/c1-30-20-10-8-18(9-11-20)22(17-6-4-3-5-7-17)24-21(26)16-31-23(27)19-12-14-25(15-13-19)32(2,28)29/h3-11,19,22H,12-16H2,1-2H3,(H,24,26)