[4-(benzimidazol-1-yl)phenyl]-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(benzimidazol-1-yl)phenyl]-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(benzimidazol-1-yl)phenyl]-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(1-benzimidazolyl)phenyl]-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(benzimidazol-1-yl)phenyl]-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(benzimidazol-1-yl)phenyl]-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]methanone Formula: C25H23BrN4O3S MolecularWeight: 539.44412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54)Br

InChI

InChI=1S/C25H23BrN4O3S/c1-18-16-21(10-11-22(18)26)34(32,33)29-14-12-28(13-15-29)25(31)19-6-8-20(9-7-19)30-17-27-23-4-2-3-5-24(23)30/h2-11,16-17H,12-15H2,1H3