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

Systemtic Name: methyl 2-[[1-(4-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(4-acetylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-acetylphenyl)sulfonylisonipecotoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C22H26N2O6S2/c1-13-15(3)31-21(19(13)22(27)30-4)23-20(26)17-9-11-24(12-10-17)32(28,29)18-7-5-16(6-8-18)14(2)25/h5-8,17H,9-12H2,1-4H3,(H,23,26)