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

Systemtic Name: ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25FN2O5S2 MolecularWeight: 468.562003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O5S2/c1-4-29-21(26)18-13(2)14(3)30-20(18)23-19(25)15-9-11-24(12-10-15)31(27,28)17-7-5-16(22)6-8-17/h5-8,15H,4,9-12H2,1-3H3,(H,23,25)