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

Systemtic Name: methyl 2-[4-(4-nitrophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-(4-nitrophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[4-(4-nitrophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-nitrophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[4-(4-nitrophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O6S/c1-31-23(26)22-14-18-4-2-3-5-19(18)15-24(22)32(29,30)21-12-8-17(9-13-21)16-6-10-20(11-7-16)25(27)28/h2-13,22H,14-15H2,1H3