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

Systemtic Name: ethyl 4-cyano-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H22FN3O5S2 MolecularWeight: 479.544883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C#N)C

InChI

InChI=1S/C21H22FN3O5S2/c1-3-30-21(27)18-13(2)17(12-23)20(31-18)24-19(26)14-8-10-25(11-9-14)32(28,29)16-6-4-15(22)5-7-16/h4-7,14H,3,8-11H2,1-2H3,(H,24,26)