3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-(4-tosyl-1,4-diazepan-1-ium-1-yl)propyl]-1H-benzimidazol-2-one Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H28N4O3S/c1-18-8-10-19(11-9-18)30(28,29)25-14-4-12-24(16-17-25)13-5-15-26-21-7-3-2-6-20(21)23-22(26)27/h2-3,6-11H,4-5,12-17H2,1H3,(H,23,27)/p+1