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

Systemtic Name: ethyl 2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[1-(4-ethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(1-p-phenetylsulfonylisonipecotoyl)amino]thiazole-5-carboxylic acid ethyl ester Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC(=C(S3)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC(=C(S3)C(=O)OCC)C

InChI

InChI=1S/C21H27N3O6S2/c1-4-29-16-6-8-17(9-7-16)32(27,28)24-12-10-15(11-13-24)19(25)23-21-22-14(3)18(31-21)20(26)30-5-2/h6-9,15H,4-5,10-13H2,1-3H3,(H,22,23,25)