[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2S)-1-tosylpipecolinic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c1-15-9-11-17(12-10-15)31(28,29)25-13-4-3-8-20(25)22(27)30-14-21(26)24-19-7-5-6-18(23)16(19)2/h5-7,9-12,20H,3-4,8,13-14H2,1-2H3,(H,24,26)/t20-/m0/s1