(1R,3R)-2-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: (1R,3R)-2-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline Openeye Name: (1R,3R)-1-allyl-3-(4-nitrophenyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline CAS Name: (1R,3R)-2-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline IUPAC Name: (1R,3R)-2-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline Traditional Name: (1R,3R)-1-allyl-3-(4-nitrophenyl)-2-tosyl-3,4-dihydro-1H-isoquinoline Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC3=CC=CC=C3C2CC=C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](CC3=CC=CC=C3[C@H]2CC=C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O4S/c1-3-6-24-23-8-5-4-7-20(23)17-25(19-11-13-21(14-12-19)27(28)29)26(24)32(30,31)22-15-9-18(2)10-16-22/h3-5,7-16,24-25H,1,6,17H2,2H3/t24-,25-/m1/s1