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

Systemtic Name: 2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-nosyl-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=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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