N-(3-hydroxyphenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-hydroxyphenyl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(3-hydroxyphenyl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(3-hydroxyphenyl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(3-hydroxyphenyl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(3-hydroxyphenyl)acetamide Formula: C21H18N3O4S2+ MolecularWeight: 440.51532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC(=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC(=CC=C4)O

InChI

InChI=1S/C21H17N3O4S2/c25-16-8-6-7-15(13-16)22-20(26)14-29-21-23-18-11-4-5-12-19(18)24(21)30(27,28)17-9-2-1-3-10-17/h1-13H,14H2,(H2,22,25,26)/p+1