ethyl 4-cyano-5-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C#N)C

InChI

InChI=1S/C22H25N3O6S2/c1-4-31-22(27)19-14(2)18(12-23)21(32-19)24-20(26)15-6-5-11-25(13-15)33(28,29)17-9-7-16(30-3)8-10-17/h7-10,15H,4-6,11,13H2,1-3H3,(H,24,26)