methyl (E)-2-cyano-4-[(4Z)-1-(4-methylphenyl)sulfonyl-4-(phenylmethylidene)pyrrolidin-3-yl]but-2-enoate

Systemtic Name: methyl (E)-2-cyano-4-[(4Z)-1-(4-methylphenyl)sulfonyl-4-(phenylmethylidene)pyrrolidin-3-yl]but-2-enoate Openeye Name: methyl (E)-4-[(4Z)-4-benzylidene-1-(p-tolylsulfonyl)pyrrolidin-3-yl]-2-cyano-but-2-enoate CAS Name: (E)-2-cyano-4-[(4Z)-1-(4-methylphenyl)sulfonyl-4-(phenylmethylene)-3-pyrrolidinyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[(4Z)-4-benzylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2-cyanobut-2-enoate Traditional Name: (E)-4-[(4Z)-4-benzal-1-tosyl-pyrrolidin-3-yl]-2-cyano-but-2-enoic acid methyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=CC3=CC=CC=C3)C2)CC=C(C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(/C(=C/C3=CC=CC=C3)/C2)C/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C24H24N2O4S/c1-18-8-12-23(13-9-18)31(28,29)26-16-21(11-10-20(15-25)24(27)30-2)22(17-26)14-19-6-4-3-5-7-19/h3-10,12-14,21H,11,16-17H2,1-2H3/b20-10+,22-14+