methyl 2,4-diphenyl-1-(phenylsulfonyl)-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl 2,4-diphenyl-1-(phenylsulfonyl)-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate Openeye Name: methyl 5-(allylcarbamoyl)-1-(benzenesulfonyl)-2,4-diphenyl-pyrrolidine-3-carboxylate CAS Name: 1-(benzenesulfonyl)-5-[oxo-(prop-2-enylamino)methyl]-2,4-diphenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-2,4-diphenyl-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate Traditional Name: 5-(allylcarbamoyl)-1-besyl-2,4-diphenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(N(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)NCC=C)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1C(C(N(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)NCC=C)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O5S/c1-3-19-29-27(31)26-23(20-13-7-4-8-14-20)24(28(32)35-2)25(21-15-9-5-10-16-21)30(26)36(33,34)22-17-11-6-12-18-22/h3-18,23-26H,1,19H2,2H3,(H,29,31)