methyl 4-[(2R,4R)-3,3-dicyano-4-ethenyl-1-(4-methylphenyl)sulfonyl-2,4-dihydroquinolin-2-yl]benzoate

Systemtic Name: methyl 4-[(2R,4R)-3,3-dicyano-4-ethenyl-1-(4-methylphenyl)sulfonyl-2,4-dihydroquinolin-2-yl]benzoate Openeye Name: methyl 4-[(2R,4R)-3,3-dicyano-1-(p-tolylsulfonyl)-4-vinyl-2,4-dihydroquinolin-2-yl]benzoate CAS Name: 4-[(2R,4R)-3,3-dicyano-4-ethenyl-1-(4-methylphenyl)sulfonyl-2,4-dihydroquinolin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R,4R)-3,3-dicyano-4-ethenyl-1-(4-methylphenyl)sulfonyl-2,4-dihydroquinolin-2-yl]benzoate Traditional Name: 4-[(2R,4R)-3,3-dicyano-1-tosyl-4-vinyl-2,4-dihydroquinolin-2-yl]benzoic acid methyl ester Formula: C28H23N3O4S MolecularWeight: 497.56492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C(C3=CC=CC=C32)C=C)(C#N)C#N)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C([C@@H](C3=CC=CC=C32)C=C)(C#N)C#N)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H23N3O4S/c1-4-24-23-7-5-6-8-25(23)31(36(33,34)22-15-9-19(2)10-16-22)26(28(24,17-29)18-30)20-11-13-21(14-12-20)27(32)35-3/h4-16,24,26H,1H2,2-3H3/t24-,26-/m1/s1