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

Systemtic Name: methyl 1-(4-bromophenyl)sulfonyl-2,4-diphenyl-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate Openeye Name: methyl 5-(allylcarbamoyl)-1-(4-bromophenyl)sulfonyl-2,4-diphenyl-pyrrolidine-3-carboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-5-[oxo-(prop-2-enylamino)methyl]-2,4-diphenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromophenyl)sulfonyl-2,4-diphenyl-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate Traditional Name: 5-(allylcarbamoyl)-1-brosyl-2,4-diphenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C28H27BrN2O5S MolecularWeight: 583.49338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27BrN2O5S/c1-3-18-30-27(32)26-23(19-10-6-4-7-11-19)24(28(33)36-2)25(20-12-8-5-9-13-20)31(26)37(34,35)22-16-14-21(29)15-17-22/h3-17,23-26H,1,18H2,2H3,(H,30,32)