methyl 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]thiazole-5-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[(1-tosylisonipecotoyl)amino]thiazole-5-carboxylic acid methyl ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC=C(S3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC=C(S3)C(=O)OC

InChI

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