ethyl 5-ethyl-2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[4-(3-fluorophenyl)sulfonylpiperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26FN3O5S2 MolecularWeight: 483.576643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C(=O)OCC

InChI

InChI=1S/C21H26FN3O5S2/c1-3-16-13-18(21(27)30-4-2)20(31-16)23-19(26)14-24-8-10-25(11-9-24)32(28,29)17-7-5-6-15(22)12-17/h5-7,12-13H,3-4,8-11,14H2,1-2H3,(H,23,26)