1-[(2-chlorophenyl)amino]-2-methyl-9-oxidanyl-benzo[e]benzimidazole-7-sulfonic acid

Systemtic Name: 1-[(2-chlorophenyl)amino]-2-methyl-9-oxidanyl-benzo[e]benzimidazole-7-sulfonic acid Openeye Name: 1-(2-chloroanilino)-9-hydroxy-2-methyl-benzo[e]benzimidazole-7-sulfonic acid CAS Name: 1-(2-chloroanilino)-9-hydroxy-2-methyl-7-benzo[e]benzimidazolesulfonic acid IUPAC Name: 1-(2-chloroanilino)-9-hydroxy-2-methylbenzo[e]benzimidazole-7-sulfonic acid Traditional Name: 1-(2-chloroanilino)-9-hydroxy-2-methyl-benzo[e]benzimidazole-7-sulfonic acid Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1NC3=CC=CC=C3Cl)C4=C(C=C(C=C4C=C2)S(=O)(=O)O)O

Isomeric SMILES

CC1=NC2=C(N1NC3=CC=CC=C3Cl)C4=C(C=C(C=C4C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C18H14ClN3O4S/c1-10-20-15-7-6-11-8-12(27(24,25)26)9-16(23)17(11)18(15)22(10)21-14-5-3-2-4-13(14)19/h2-9,21,23H,1H3,(H,24,25,26)