2-[2-(phenylmethyl)sulfonyl-3H-benzimidazol-1-ium-1-yl]-N-(2-propan-2-yloxyphenyl)ethanamide

Systemtic Name: 2-[2-(phenylmethyl)sulfonyl-3H-benzimidazol-1-ium-1-yl]-N-(2-propan-2-yloxyphenyl)ethanamide Openeye Name: 2-(2-benzylsulfonyl-3H-benzimidazol-1-ium-1-yl)-N-(2-isopropoxyphenyl)acetamide CAS Name: 2-[2-(phenylmethyl)sulfonyl-3H-benzimidazol-1-ium-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide IUPAC Name: 2-(2-benzylsulfonyl-3H-benzimidazol-1-ium-1-yl)-N-(2-propan-2-yloxyphenyl)acetamide Traditional Name: 2-(2-benzylsulfonyl-3H-benzimidazol-1-ium-1-yl)-N-(2-isopropoxyphenyl)acetamide Formula: C25H26N3O4S+ MolecularWeight: 464.55664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1NC(=O)C[N+]2=C(NC3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC=C1NC(=O)C[N+]2=C(NC3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S/c1-18(2)32-23-15-9-7-13-21(23)26-24(29)16-28-22-14-8-6-12-20(22)27-25(28)33(30,31)17-19-10-4-3-5-11-19/h3-15,18H,16-17H2,1-2H3,(H,26,29)/p+1