[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO6S/c1-14-5-8-16(9-6-14)30(26,27)23-11-3-4-18(23)21(25)29-13-19(24)15-7-10-20(28-2)17(22)12-15/h5-10,12,18H,3-4,11,13H2,1-2H3