[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2S)-1-tosylpipecolinic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C23H28N2O7S MolecularWeight: 476.54262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCC(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H28N2O7S/c1-16-7-10-18(11-8-16)33(28,29)25-13-5-4-6-20(25)23(27)32-15-22(26)24-19-14-17(30-2)9-12-21(19)31-3/h7-12,14,20H,4-6,13,15H2,1-3H3,(H,24,26)/t20-/m0/s1