methyl 4,5-dimethyl-2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(1-besylnipecotoyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H24N2O5S2/c1-13-14(2)28-19(17(13)20(24)27-3)21-18(23)15-8-7-11-22(12-15)29(25,26)16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-12H2,1-3H3,(H,21,23)