3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylbutan-2-yl)benzamide

Systemtic Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylbutan-2-yl)benzamide Openeye Name: N-(1,1-dimethylpropyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-N-(2-methylbutan-2-yl)benzamide IUPAC Name: 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylbutan-2-yl)benzamide Traditional Name: N-tert-amyl-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3S/c1-4-22(2,3)24-21(27)17-6-5-7-20(16-17)30(28,29)26-14-12-25(13-15-26)19-10-8-18(23)9-11-19/h5-11,16H,4,12-15H2,1-3H3,(H,24,27)