[4-(1H-benzimidazol-3-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-(4-methylphenyl)azanide

Systemtic Name: [4-(1H-benzimidazol-3-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-(4-methylphenyl)azanide Openeye Name: [4-(1H-benzimidazol-3-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-(p-tolyl)azanide CAS Name: [4-[(1H-benzimidazol-3-ium-2-ylmethylamino)-oxomethyl]phenyl]sulfonyl-(4-methylphenyl)azanide IUPAC Name: [4-(1H-benzimidazol-3-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-(4-methylphenyl)azanide Traditional Name: [4-(1H-benzimidazol-3-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-(p-tolyl)azanide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C22H19N4O3S/c1-15-6-10-17(11-7-15)26-30(28,29)18-12-8-16(9-13-18)22(27)23-14-21-24-19-4-2-3-5-20(19)25-21/h2-13H,14H2,1H3,(H,23,27)(H,24,25)/q-1/p+1