(3R)-2-[4-(4-sulfamoylphenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-2-[4-(4-sulfamoylphenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-2-[4-(4-sulfamoylphenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-2-[4-(4-sulfamoylphenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-2-[4-(4-sulfamoylphenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-2-[4-(4-sulfamoylphenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H20N2O6S2 MolecularWeight: 472.534

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C22H20N2O6S2/c23-31(27,28)19-9-5-15(6-10-19)16-7-11-20(12-8-16)32(29,30)24-14-18-4-2-1-3-17(18)13-21(24)22(25)26/h1-12,21H,13-14H2,(H,25,26)(H2,23,27,28)/t21-/m1/s1