2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanoic acid

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanoic acid Openeye Name: 2-[5-isoquinolylsulfonyl(methyl)amino]acetic acid CAS Name: 2-[5-isoquinolinylsulfonyl(methyl)amino]acetic acid IUPAC Name: 2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetic acid Traditional Name: 2-[5-isoquinolylsulfonyl(methyl)amino]acetic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CN(CC(=O)O)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C12H12N2O4S/c1-14(8-12(15)16)19(17,18)11-4-2-3-9-7-13-6-5-10(9)11/h2-7H,8H2,1H3,(H,15,16)