5-bromanyl-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]benzoic acid Formula: C23H19BrN2O5S MolecularWeight: 515.37636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C23H19BrN2O5S/c24-18-7-10-21(20(13-18)23(28)29)25-22(27)16-5-8-19(9-6-16)32(30,31)26-12-11-15-3-1-2-4-17(15)14-26/h1-10,13H,11-12,14H2,(H,25,27)(H,28,29)