2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H14N2O6S MolecularWeight: 362.35716

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H14N2O6S/c19-16(20)14-9-11-5-1-2-6-12(11)10-17(14)25(23,24)15-8-4-3-7-13(15)18(21)22/h1-8,14H,9-10H2,(H,19,20)