[2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[2-(2-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[2-(2-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[2-keto-2-(o-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O5S2/c1-14-5-3-4-6-17(14)22-18(24)11-19-21-16(13-29-19)12-28-20(25)15-7-9-23(10-8-15)30(2,26)27/h3-6,13,15H,7-12H2,1-2H3,(H,22,24)