N-(4-bromophenyl)-2-fluoranyl-5-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(4-bromophenyl)-2-fluoranyl-5-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(4-bromophenyl)-2-fluoro-5-[3-methyl-4-(p-tolyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(4-bromophenyl)-2-fluoro-5-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(4-bromophenyl)-2-fluoro-5-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: N-(4-bromophenyl)-2-fluoro-5-[3-methyl-4-(p-tolyl)piperazino]sulfonyl-benzamide Formula: C25H25BrFN3O3S MolecularWeight: 546.451703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H25BrFN3O3S/c1-17-3-9-21(10-4-17)30-14-13-29(16-18(30)2)34(32,33)22-11-12-24(27)23(15-22)25(31)28-20-7-5-19(26)6-8-20/h3-12,15,18H,13-14,16H2,1-2H3,(H,28,31)