[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrNO5S/c1-14-4-10-17(11-5-14)28(25,26)22-12-2-3-18(22)20(24)27-13-19(23)15-6-8-16(21)9-7-15/h4-11,18H,2-3,12-13H2,1H3