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

Systemtic Name: methyl 4-[(2S,4R)-3,3-dicyano-4-ethenyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]benzoate Openeye Name: methyl 4-[(2S,4R)-3,3-dicyano-1-(p-tolylsulfonyl)-4-vinyl-pyrrolidin-2-yl]benzoate CAS Name: 4-[(2S,4R)-3,3-dicyano-4-ethenyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S,4R)-3,3-dicyano-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]benzoate Traditional Name: 4-[(2S,4R)-3,3-dicyano-1-tosyl-4-vinyl-pyrrolidin-2-yl]benzoic acid methyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2C3=CC=C(C=C3)C(=O)OC)(C#N)C#N)C=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C([C@@H]2C3=CC=C(C=C3)C(=O)OC)(C#N)C#N)C=C

InChI

InChI=1S/C23H21N3O4S/c1-4-19-13-26(31(28,29)20-11-5-16(2)6-12-20)21(23(19,14-24)15-25)17-7-9-18(10-8-17)22(27)30-3/h4-12,19,21H,1,13H2,2-3H3/t19-,21-/m0/s1