N-[2-[(4-cyclohexylcarbonylpiperazin-1-yl)methyl]-1-methyl-3H-benzimidazol-1-ium-5-yl]benzenesulfonamide

Systemtic Name: N-[2-[(4-cyclohexylcarbonylpiperazin-1-yl)methyl]-1-methyl-3H-benzimidazol-1-ium-5-yl]benzenesulfonamide Openeye Name: N-[2-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-1-methyl-3H-benzimidazol-1-ium-5-yl]benzenesulfonamide CAS Name: N-[2-[[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]methyl]-1-methyl-3H-benzimidazol-1-ium-5-yl]benzenesulfonamide IUPAC Name: N-[2-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-1-methyl-3H-benzimidazol-1-ium-5-yl]benzenesulfonamide Traditional Name: N-[2-[[4-(cyclohexanecarbonyl)piperazino]methyl]-1-methyl-3H-benzimidazol-1-ium-5-yl]benzenesulfonamide Formula: C26H34N5O3S+ MolecularWeight: 496.64486

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)CN4CCN(CC4)C(=O)C5CCCCC5

Isomeric SMILES

C[N+]1=C(NC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)CN4CCN(CC4)C(=O)C5CCCCC5

InChI

InChI=1S/C26H33N5O3S/c1-29-24-13-12-21(28-35(33,34)22-10-6-3-7-11-22)18-23(24)27-25(29)19-30-14-16-31(17-15-30)26(32)20-8-4-2-5-9-20/h3,6-7,10-13,18,20,28H,2,4-5,8-9,14-17,19H2,1H3/p+1