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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(1H-benzimidazol-2-yl)-1-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-[4-(4-sec-butylphenyl)sulfonylpiperazino]propan-1-one Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H30N4O3S/c1-3-18(2)19-8-10-20(11-9-19)32(30,31)28-16-14-27(15-17-28)24(29)13-12-23-25-21-6-4-5-7-22(21)26-23/h4-11,18H,3,12-17H2,1-2H3,(H,25,26)