5-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-furoic acid Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)CC4=CC=C(O4)C(=O)O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)CC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C21H19ClN2O5S/c22-16-2-1-3-17(11-16)23-30(27,28)19-6-4-14-8-9-24(12-15(14)10-19)13-18-5-7-20(29-18)21(25)26/h1-7,10-11,23H,8-9,12-13H2,(H,25,26)