3-(1H-benzimidazol-2-yl)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(1H-benzimidazol-2-yl)-1-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-(4-brosylpiperazino)propan-1-one Formula: C20H21BrN4O3S MolecularWeight: 477.37474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H21BrN4O3S/c21-15-5-7-16(8-6-15)29(27,28)25-13-11-24(12-14-25)20(26)10-9-19-22-17-3-1-2-4-18(17)23-19/h1-8H,9-14H2,(H,22,23)