4-(1H-benzimidazol-2-yl)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-yl)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1H-benzimidazol-2-yl)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1H-benzimidazol-2-yl)-1-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-yl)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1H-benzimidazol-2-yl)-1-[4-(4-tert-butylphenyl)sulfonylpiperazino]butan-1-one Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3S/c1-25(2,3)19-11-13-20(14-12-19)33(31,32)29-17-15-28(16-18-29)24(30)10-6-9-23-26-21-7-4-5-8-22(21)27-23/h4-5,7-8,11-14H,6,9-10,15-18H2,1-3H3,(H,26,27)