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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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