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

Systemtic Name: methyl 2-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(2-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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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=CC=C3C#N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C21H23N3O5S2/c1-13-14(2)30-20(18(13)21(26)29-3)23-19(25)15-8-10-24(11-9-15)31(27,28)17-7-5-4-6-16(17)12-22/h4-7,15H,8-11H2,1-3H3,(H,23,25)