N-(4-bromophenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoranyl-benzamide

Systemtic Name: N-(4-bromophenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoranyl-benzamide Openeye Name: N-(4-bromophenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-benzamide CAS Name: N-(4-bromophenyl)-3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-4-fluorobenzamide IUPAC Name: N-(4-bromophenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluorobenzamide Traditional Name: N-(4-bromophenyl)-3-[4-(2,3-dimethylphenyl)piperazino]sulfonyl-4-fluoro-benzamide Formula: C25H25BrFN3O3S MolecularWeight: 546.451703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)Br)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)Br)F)C

InChI

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