N-(2,6-diethylphenyl)-2-fluoranyl-5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(2,6-diethylphenyl)-2-fluoranyl-5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(2,6-diethylphenyl)-2-fluoro-5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(2,6-diethylphenyl)-2-fluoro-5-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(2,6-diethylphenyl)-2-fluoro-5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: N-(2,6-diethylphenyl)-2-fluoro-5-[4-(2-fluorophenyl)piperazino]sulfonyl-benzamide Formula: C27H29F2N3O3S MolecularWeight: 513.599266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)F

InChI

InChI=1S/C27H29F2N3O3S/c1-3-19-8-7-9-20(4-2)26(19)30-27(33)22-18-21(12-13-23(22)28)36(34,35)32-16-14-31(15-17-32)25-11-6-5-10-24(25)29/h5-13,18H,3-4,14-17H2,1-2H3,(H,30,33)