N-(2-bromophenyl)-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluoranyl-benzamide

Systemtic Name: N-(2-bromophenyl)-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluoranyl-benzamide Openeye Name: N-(2-bromophenyl)-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluoro-benzamide CAS Name: N-(2-bromophenyl)-5-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-2-fluorobenzamide IUPAC Name: N-(2-bromophenyl)-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide Traditional Name: N-(2-bromophenyl)-5-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-2-fluoro-benzamide Formula: C25H25BrFN3O3S MolecularWeight: 546.451703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC=CC=C4Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)NC4=CC=CC=C4Br

InChI

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