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

Systemtic Name: (3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(4-chlorophenyl)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-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) ester Formula: C23H22BrClN2O5S MolecularWeight: 553.85318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl)Br)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl)Br)C

InChI

InChI=1S/C23H22BrClN2O5S/c1-23(2)21(24)20(17-12-14(13-26)5-10-19(17)32-23)31-22(28)18-4-3-11-27(18)33(29,30)16-8-6-15(25)7-9-16/h5-10,12,18,20-21H,3-4,11H2,1-2H3