(3R)-2-[4-(4-fluorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-2-[4-(4-fluorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-2-[4-(4-fluorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-2-[4-(4-fluorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-2-[4-(4-fluorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-2-[4-(4-fluorophenyl)phenyl]sulfonyl-6-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H17FN2O6S MolecularWeight: 456.443583

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=C1C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C22H17FN2O6S/c23-18-6-1-14(2-7-18)15-4-9-20(10-5-15)32(30,31)24-13-16-3-8-19(25(28)29)11-17(16)12-21(24)22(26)27/h1-11,21H,12-13H2,(H,26,27)/t21-/m1/s1