ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-4-(4-methylphenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonyl-4-(p-tolyl)thiophene-2-carboxylic acid ethyl ester Formula: C24H25FN2O4S2 MolecularWeight: 488.594703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CS1)C2=CC=C(C=C2)C)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(C(=CS1)C2=CC=C(C=C2)C)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H25FN2O4S2/c1-3-31-24(28)22-23(21(16-32-22)18-6-4-17(2)5-7-18)33(29,30)27-14-12-26(13-15-27)20-10-8-19(25)9-11-20/h4-11,16H,3,12-15H2,1-2H3