N-[1-oxidanyl-3-(phenylsulfonyl)propan-2-yl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[1-oxidanyl-3-(phenylsulfonyl)propan-2-yl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[1-(benzenesulfonylmethyl)-2-hydroxy-ethyl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide CAS Name: N-[1-(benzenesulfonyl)-3-hydroxypropan-2-yl]-2-(4-pyridin-1-iumyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[1-(benzenesulfonyl)-3-hydroxypropan-2-yl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[1-(besylmethyl)-2-hydroxy-ethyl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Formula: C22H21N4O4S+ MolecularWeight: 437.49154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(CO)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(CO)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C22H20N4O4S/c27-13-17(14-31(29,30)18-4-2-1-3-5-18)24-22(28)16-6-7-19-20(12-16)26-21(25-19)15-8-10-23-11-9-15/h1-12,17,27H,13-14H2,(H,24,28)(H,25,26)/p+1