[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-(N-methylanilino)-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-(N-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-methylanilino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2S)-1-tosylpipecolinic acid [2-keto-2-(N-methylanilino)ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-17-11-13-19(14-12-17)30(27,28)24-15-7-6-10-20(24)22(26)29-16-21(25)23(2)18-8-4-3-5-9-18/h3-5,8-9,11-14,20H,6-7,10,15-16H2,1-2H3/t20-/m0/s1