4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-ynoic acid

Systemtic Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-ynoic acid Openeye Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-ynoic acid CAS Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-butynoic acid IUPAC Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-ynoic acid Traditional Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-ynoic acid Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)CC#CC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)CC#CC(=O)O

InChI

InChI=1S/C19H17ClN2O4S/c20-16-3-1-4-17(12-16)21-27(25,26)18-7-6-14-8-10-22(13-15(14)11-18)9-2-5-19(23)24/h1,3-4,6-7,11-12,21H,8-10,13H2,(H,23,24)