methyl (3S)-1-ethenyl-6,7-dimethoxy-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-1-ethenyl-6,7-dimethoxy-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-6,7-dimethoxy-2-(4-nitrophenyl)sulfonyl-1-vinyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-1-ethenyl-6,7-dimethoxy-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-1-ethenyl-6,7-dimethoxy-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-6,7-dimethoxy-2-nosyl-1-vinyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(C(CC2=C1)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C)OC

Isomeric SMILES

COC1=C(C=C2C(N([C@@H](CC2=C1)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C)OC

InChI

InChI=1S/C21H22N2O8S/c1-5-17-16-12-20(30-3)19(29-2)11-13(16)10-18(21(24)31-4)22(17)32(27,28)15-8-6-14(7-9-15)23(25)26/h5-9,11-12,17-18H,1,10H2,2-4H3/t17?,18-/m0/s1