N-(3-fluoranyl-4-methyl-phenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-thiophene-2-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-3-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-3-[4-(2-fluorophenyl)piperazino]sulfonyl-thiophene-2-carboxamide Formula: C22H21F2N3O3S2 MolecularWeight: 477.547246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)F

InChI

InChI=1S/C22H21F2N3O3S2/c1-15-6-7-16(14-18(15)24)25-22(28)21-20(8-13-31-21)32(29,30)27-11-9-26(10-12-27)19-5-3-2-4-17(19)23/h2-8,13-14H,9-12H2,1H3,(H,25,28)