3-(isoquinolin-1-ylmethylsulfamoyl)-4,5-dimethyl-benzoic acid

Systemtic Name: 3-(isoquinolin-1-ylmethylsulfamoyl)-4,5-dimethyl-benzoic acid Openeye Name: 3-(1-isoquinolylmethylsulfamoyl)-4,5-dimethyl-benzoic acid CAS Name: 3-(1-isoquinolinylmethylsulfamoyl)-4,5-dimethylbenzoic acid IUPAC Name: 3-(isoquinolin-1-ylmethylsulfamoyl)-4,5-dimethylbenzoic acid Traditional Name: 3-(1-isoquinolylmethylsulfamoyl)-4,5-dimethyl-benzoic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCC2=NC=CC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCC2=NC=CC3=CC=CC=C32)C

InChI

InChI=1S/C19H18N2O4S/c1-12-9-15(19(22)23)10-18(13(12)2)26(24,25)21-11-17-16-6-4-3-5-14(16)7-8-20-17/h3-10,21H,11H2,1-2H3,(H,22,23)