methyl (3R)-2-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(4-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(4-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-12-7-8-15(10-16(12)20(22)23)27(24,25)19-11-14-6-4-3-5-13(14)9-17(19)18(21)26-2/h3-8,10,17H,9,11H2,1-2H3/t17-/m1/s1