2-[2-(4-nitrophenyl)sulfonyl-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(4-nitrophenyl)sulfonyl-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-(4-nitrophenyl)sulfonyl-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-(4-nitrophenyl)sulfonyl-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-(4-nitrophenyl)sulfonyl-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-(2-nosyl-1H-isoquinolin-1-yl)acetic acid Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C17H14N2O6S/c20-17(21)11-16-15-4-2-1-3-12(15)9-10-18(16)26(24,25)14-7-5-13(6-8-14)19(22)23/h1-10,16H,11H2,(H,20,21)