2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazino]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C24H30N6O2S2 MolecularWeight: 498.664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H30N6O2S2/c1-2-3-10-30-21-9-8-18(34(25,31)32)15-20(21)26-23(30)16-28-11-13-29(14-12-28)17-24-27-19-6-4-5-7-22(19)33-24/h4-9,15H,2-3,10-14,16-17H2,1H3,(H2,25,31,32)