N-(2-ethyl-6-methyl-phenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzamide Formula: C26H28FN3O3S MolecularWeight: 481.582223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H28FN3O3S/c1-3-20-7-4-6-19(2)25(20)28-26(31)21-8-5-9-24(18-21)34(32,33)30-16-14-29(15-17-30)23-12-10-22(27)11-13-23/h4-13,18H,3,14-17H2,1-2H3,(H,28,31)