N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]propane-2-sulfonamide

Systemtic Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]propane-2-sulfonamide Openeye Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]propane-2-sulfonamide CAS Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]-2-propanesulfonamide IUPAC Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]propane-2-sulfonamide Traditional Name: N-[2-(4-phenoxybenzyl)-1H-benzimidazol-1-ium-5-yl]propane-2-sulfonamide Formula: C23H24N3O3S+ MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NC1=CC2=C(C=C1)[NH2+]C(=N2)CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)NC1=CC2=C(C=C1)[NH2+]C(=N2)CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-16(2)30(27,28)26-18-10-13-21-22(15-18)25-23(24-21)14-17-8-11-20(12-9-17)29-19-6-4-3-5-7-19/h3-13,15-16,26H,14H2,1-2H3,(H,24,25)/p+1