1-(2-sulfamoylethylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-sulfamoylethylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(2-sulfamoylethylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(2-sulfamoylethylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-sulfamoylethylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(2-sulfamoylethylamino)isoquinoline-3-carboxylic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2NCCS(=O)(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2NCCS(=O)(=O)N)C(=O)O

InChI

InChI=1S/C12H13N3O4S/c13-20(18,19)6-5-14-11-9-4-2-1-3-8(9)7-10(15-11)12(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17)(H2,13,18,19)