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

Systemtic Name: sodium 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-ynoate Openeye Name: sodium 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-ynoate CAS Name: sodium 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-butynoate IUPAC Name: sodium 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-ynoate Traditional Name: sodium 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-ynoate Formula: C19H16ClN2NaO4S MolecularWeight: 426.84911

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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-].[Na+]

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)CC#CC(=O)[O-].[Na+]

InChI

InChI=1S/C19H17ClN2O4S.Na/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);/q;+1/p-1