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

Systemtic Name: 2-[4-(4-nitrophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[4-(4-nitrophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[4-(4-nitrophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[4-(4-nitrophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-(4-nitrophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H18N2O6S/c25-22(26)21-13-17-3-1-2-4-18(17)14-23(21)31(29,30)20-11-7-16(8-12-20)15-5-9-19(10-6-15)24(27)28/h1-12,21H,13-14H2,(H,25,26)