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

Systemtic Name: ethyl 2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-4-methyl-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-4-methyl-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-fluorophenyl)sulfonylpiperazino]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28FN3O5S2 MolecularWeight: 545.646023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C26H28FN3O5S2/c1-3-35-26(32)23-18(2)24(19-8-5-4-6-9-19)36-25(23)28-22(31)17-29-12-14-30(15-13-29)37(33,34)21-11-7-10-20(27)16-21/h4-11,16H,3,12-15,17H2,1-2H3,(H,28,31)