2-[4-(2-methylpropyl)-1-(phenylsulfonyl)piperazin-2-yl]-1H-benzimidazole

Systemtic Name: 2-[4-(2-methylpropyl)-1-(phenylsulfonyl)piperazin-2-yl]-1H-benzimidazole Openeye Name: 2-[1-(benzenesulfonyl)-4-isobutyl-piperazin-2-yl]-1H-benzimidazole CAS Name: 2-[1-(benzenesulfonyl)-4-(2-methylpropyl)-2-piperazinyl]-1H-benzimidazole IUPAC Name: 2-[1-(benzenesulfonyl)-4-(2-methylpropyl)piperazin-2-yl]-1H-benzimidazole Traditional Name: 2-(1-besyl-4-isobutyl-piperazin-2-yl)-1H-benzimidazole Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(C(C1)C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1CCN(C(C1)C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4O2S/c1-16(2)14-24-12-13-25(28(26,27)17-8-4-3-5-9-17)20(15-24)21-22-18-10-6-7-11-19(18)23-21/h3-11,16,20H,12-15H2,1-2H3,(H,22,23)