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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O4S2/c1-13-3-5-15(6-4-13)19-18-20-16(12-26-18)11-25-17(22)14-7-9-21(10-8-14)27(2,23)24/h3-6,12,14H,7-11H2,1-2H3,(H,19,20)