(1S,3R)-1-ethenyl-6-methoxy-3-methyl-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: (1S,3R)-1-ethenyl-6-methoxy-3-methyl-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: (1S,3R)-6-methoxy-3-methyl-2-(4-nitrophenyl)sulfonyl-1-vinyl-3,4-dihydro-1H-isoquinoline CAS Name: (1S,3R)-1-ethenyl-6-methoxy-3-methyl-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: (1S,3R)-1-ethenyl-6-methoxy-3-methyl-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: (1S,3R)-6-methoxy-3-methyl-2-nosyl-1-vinyl-3,4-dihydro-1H-isoquinoline Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=CC(=C2)OC)C(N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C

Isomeric SMILES

C[C@@H]1CC2=C(C=CC(=C2)OC)[C@@H](N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C

InChI

InChI=1S/C19H20N2O5S/c1-4-19-18-10-7-16(26-3)12-14(18)11-13(2)20(19)27(24,25)17-8-5-15(6-9-17)21(22)23/h4-10,12-13,19H,1,11H2,2-3H3/t13-,19+/m1/s1