2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O

InChI

InChI=1S/C23H19N3O4S/c27-23(28)17-7-10-20-21(13-17)25-22(24-20)16-5-8-19(9-6-16)31(29,30)26-12-11-15-3-1-2-4-18(15)14-26/h1-10,13H,11-12,14H2,(H,24,25)(H,27,28)