(3R)-2-(4-methoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-2-(4-methoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-2-(4-methoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-2-(4-methoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-2-(4-methoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-2-(4-methoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C[C@@H]2C(=O)O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7S/c1-26-14-4-6-15(7-5-14)27(24,25)18-10-12-8-13(19(22)23)3-2-11(12)9-16(18)17(20)21/h2-8,16H,9-10H2,1H3,(H,20,21)/t16-/m1/s1