methyl 1-[[2-[(4-methylsulfonylphenyl)amino]-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[2-[(4-methylsulfonylphenyl)amino]-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-methylsulfonylanilino)thiazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(4-methylsulfonylanilino)-4-thiazolyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-methylsulfonylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-mesylanilino)thiazole-4-carbonyl]isonipecotic acid methyl ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H21N3O5S2/c1-26-17(23)12-7-9-21(10-8-12)16(22)15-11-27-18(20-15)19-13-3-5-14(6-4-13)28(2,24)25/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)