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

Systemtic Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]butane-2-sulfonamide Openeye Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]butane-2-sulfonamide CAS Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]-2-butanesulfonamide IUPAC Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]butane-2-sulfonamide Traditional Name: N-[2-(4-phenoxybenzyl)-1H-benzimidazol-1-ium-5-yl]butane-2-sulfonamide Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3S/c1-3-17(2)31(28,29)27-19-11-14-22-23(16-19)26-24(25-22)15-18-9-12-21(13-10-18)30-20-7-5-4-6-8-20/h4-14,16-17,27H,3,15H2,1-2H3,(H,25,26)/p+1