(3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (3-bromo-6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (3-bromo-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) ester Formula: C24H25BrN2O5S MolecularWeight: 533.4347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC3C(C(OC4=C3C=C(C=C4)C#N)(C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC3C(C(OC4=C3C=C(C=C4)C#N)(C)C)Br

InChI

InChI=1S/C24H25BrN2O5S/c1-15-6-9-17(10-7-15)33(29,30)27-12-4-5-19(27)23(28)31-21-18-13-16(14-26)8-11-20(18)32-24(2,3)22(21)25/h6-11,13,19,21-22H,4-5,12H2,1-3H3