4-(1H-benzimidazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1H-benzimidazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1H-benzimidazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1H-benzimidazol-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]butan-1-one Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C23H28N4O3S/c1-17-10-11-19(16-18(17)2)31(29,30)27-14-12-26(13-15-27)23(28)9-5-8-22-24-20-6-3-4-7-21(20)25-22/h3-4,6-7,10-11,16H,5,8-9,12-15H2,1-2H3,(H,24,25)