tert-butyl 3-butyl-1-[3-chloranyl-2-[(1-oxidanylidene-3,8a-dihydroisoquinolin-2-yl)methyl]phenyl]sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 3-butyl-1-[3-chloranyl-2-[(1-oxidanylidene-3,8a-dihydroisoquinolin-2-yl)methyl]phenyl]sulfonyl-pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-butyl-1-[3-chloro-2-[(1-oxo-3,8a-dihydroisoquinolin-2-yl)methyl]phenyl]sulfonyl-pyrrolidine-2-carboxylate CAS Name: 3-butyl-1-[3-chloro-2-[(1-oxo-3,8a-dihydroisoquinolin-2-yl)methyl]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-butyl-1-[3-chloro-2-[(1-oxo-3,8a-dihydroisoquinolin-2-yl)methyl]phenyl]sulfonylpyrrolidine-2-carboxylate Traditional Name: 3-butyl-1-[3-chloro-2-[(1-keto-3,8a-dihydroisoquinolin-2-yl)methyl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C29H37ClN2O5S MolecularWeight: 561.13248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(C1C(=O)OC(C)(C)C)S(=O)(=O)C2=C(C(=CC=C2)Cl)CN3CC=C4C=CC=CC4C3=O

Isomeric SMILES

CCCCC1CCN(C1C(=O)OC(C)(C)C)S(=O)(=O)C2=C(C(=CC=C2)Cl)CN3CC=C4C=CC=CC4C3=O

InChI

InChI=1S/C29H37ClN2O5S/c1-5-6-10-21-16-18-32(26(21)28(34)37-29(2,3)4)38(35,36)25-14-9-13-24(30)23(25)19-31-17-15-20-11-7-8-12-22(20)27(31)33/h7-9,11-15,21-22,26H,5-6,10,16-19H2,1-4H3