2-[(4-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-3-ium

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-3-ium Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-3-ium CAS Name: 2-[(4-chlorophenyl)methylthio]-3-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-3-ium Traditional Name: 2-[(4-chlorobenzyl)thio]-3-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-3-ium Formula: C21H18ClN2O3S2+ MolecularWeight: 445.96222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O3S2/c1-27-17-10-12-18(13-11-17)29(25,26)24-20-5-3-2-4-19(20)23-21(24)28-14-15-6-8-16(22)9-7-15/h2-13H,14H2,1H3/p+1