N-[3-(2-cyclohex-3-en-1-yl-3H-benzimidazol-1-ium-1-yl)-2-oxidanyl-propyl]-N-(4-methoxyphenyl)benzenesulfonamide

Systemtic Name: N-[3-(2-cyclohex-3-en-1-yl-3H-benzimidazol-1-ium-1-yl)-2-oxidanyl-propyl]-N-(4-methoxyphenyl)benzenesulfonamide Openeye Name: N-[3-(2-cyclohex-3-en-1-yl-3H-benzimidazol-1-ium-1-yl)-2-hydroxy-propyl]-N-(4-methoxyphenyl)benzenesulfonamide CAS Name: N-[3-[2-(1-cyclohex-3-enyl)-3H-benzimidazol-1-ium-1-yl]-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide IUPAC Name: N-[3-(2-cyclohex-3-en-1-yl-3H-benzimidazol-1-ium-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide Traditional Name: N-[3-(2-cyclohex-3-en-1-yl-3H-benzimidazol-1-ium-1-yl)-2-hydroxy-propyl]-N-(4-methoxyphenyl)benzenesulfonamide Formula: C29H32N3O4S+ MolecularWeight: 518.64708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(C[N+]2=C(NC3=CC=CC=C32)C4CCC=CC4)O)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(C[N+]2=C(NC3=CC=CC=C32)C4CCC=CC4)O)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O4S/c1-36-25-18-16-23(17-19-25)32(37(34,35)26-12-6-3-7-13-26)21-24(33)20-31-28-15-9-8-14-27(28)30-29(31)22-10-4-2-5-11-22/h2-4,6-9,12-19,22,24,33H,5,10-11,20-21H2,1H3/p+1