1-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-(2-pyrimidyl)piperazino]methyl]benzimidazole-5-sulfonamide Formula: C20H27N7O2S MolecularWeight: 429.53908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H27N7O2S/c1-2-3-9-27-18-6-5-16(30(21,28)29)14-17(18)24-19(27)15-25-10-12-26(13-11-25)20-22-7-4-8-23-20/h4-8,14H,2-3,9-13,15H2,1H3,(H2,21,28,29)