[3-[[2-(1H-benzimidazol-3-ium-2-yl)phenyl]carbamoyl]-4-chloranyl-phenyl]sulfonyl-(3,4-dimethylphenyl)azanide

Systemtic Name: [3-[[2-(1H-benzimidazol-3-ium-2-yl)phenyl]carbamoyl]-4-chloranyl-phenyl]sulfonyl-(3,4-dimethylphenyl)azanide Openeye Name: [3-[[2-(1H-benzimidazol-3-ium-2-yl)phenyl]carbamoyl]-4-chloro-phenyl]sulfonyl-(3,4-dimethylphenyl)azanide CAS Name: [3-[[2-(1H-benzimidazol-3-ium-2-yl)anilino]-oxomethyl]-4-chlorophenyl]sulfonyl-(3,4-dimethylphenyl)azanide IUPAC Name: [3-[[2-(1H-benzimidazol-3-ium-2-yl)phenyl]carbamoyl]-4-chlorophenyl]sulfonyl-(3,4-dimethylphenyl)azanide Traditional Name: [3-[[2-(1H-benzimidazol-3-ium-2-yl)phenyl]carbamoyl]-4-chloro-phenyl]sulfonyl-(3,4-dimethylphenyl)azanide Formula: C28H23ClN4O3S MolecularWeight: 531.02522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C4=[NH+]C5=CC=CC=C5N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C4=[NH+]C5=CC=CC=C5N4)C

InChI

InChI=1S/C28H22ClN4O3S/c1-17-11-12-19(15-18(17)2)33-37(35,36)20-13-14-23(29)22(16-20)28(34)32-24-8-4-3-7-21(24)27-30-25-9-5-6-10-26(25)31-27/h3-16H,1-2H3,(H2,30,31,32,34)/q-1/p+1