methyl (2S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enoyl]oxy-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enoyl]oxy-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(E)-3-phenylprop-2-enoyl]oxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-1-oxo-3-phenylprop-2-enoxy]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enoyl]oxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-[(E)-3-phenylacryloyl]oxy-1-tosyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)OC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6S/c1-16-8-11-19(12-9-16)30(26,27)23-15-18(14-20(23)22(25)28-2)29-21(24)13-10-17-6-4-3-5-7-17/h3-13,18,20H,14-15H2,1-2H3/b13-10+/t18-,20+/m1/s1