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

Systemtic Name: 1-[(2-chlorophenyl)amino]-9-oxidanyl-2-pentyl-benzo[e]benzimidazole-7-sulfonic acid Openeye Name: 1-(2-chloroanilino)-9-hydroxy-2-pentyl-benzo[e]benzimidazole-7-sulfonic acid CAS Name: 1-(2-chloroanilino)-9-hydroxy-2-pentyl-7-benzo[e]benzimidazolesulfonic acid IUPAC Name: 1-(2-chloroanilino)-9-hydroxy-2-pentylbenzo[e]benzimidazole-7-sulfonic acid Traditional Name: 2-amyl-1-(2-chloroanilino)-9-hydroxy-benzo[e]benzimidazole-7-sulfonic acid Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(N1NC3=CC=CC=C3Cl)C4=C(C=C(C=C4C=C2)S(=O)(=O)O)O

Isomeric SMILES

CCCCCC1=NC2=C(N1NC3=CC=CC=C3Cl)C4=C(C=C(C=C4C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C22H22ClN3O4S/c1-2-3-4-9-20-24-18-11-10-14-12-15(31(28,29)30)13-19(27)21(14)22(18)26(20)25-17-8-6-5-7-16(17)23/h5-8,10-13,25,27H,2-4,9H2,1H3,(H,28,29,30)