1-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-(3-pyridylsulfonyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-(3-pyridinylsulfonyl)-1-piperazinyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-(3-pyridylsulfonyl)piperazino]methyl]benzimidazole-5-sulfonamide Formula: C21H28N6O4S2 MolecularWeight: 492.61482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O4S2/c1-2-3-9-27-20-7-6-17(32(22,28)29)14-19(20)24-21(27)16-25-10-12-26(13-11-25)33(30,31)18-5-4-8-23-15-18/h4-8,14-15H,2-3,9-13,16H2,1H3,(H2,22,28,29)