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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OCC

InChI

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