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

Systemtic Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]terephthalic acid Formula: C24H20N2O7S MolecularWeight: 480.4898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O7S/c27-22(25-21-13-17(23(28)29)8-9-20(21)24(30)31)16-6-3-7-19(12-16)34(32,33)26-11-10-15-4-1-2-5-18(15)14-26/h1-9,12-13H,10-11,14H2,(H,25,27)(H,28,29)(H,30,31)