tert-butyl 1-[4-[(3-butyl-1-oxidanylidene-isoquinolin-2-yl)methyl]-3-chloranyl-phenyl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[4-[(3-butyl-1-oxidanylidene-isoquinolin-2-yl)methyl]-3-chloranyl-phenyl]sulfonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[4-[(3-butyl-1-oxo-2-isoquinolyl)methyl]-3-chloro-phenyl]sulfonylpyrrolidine-2-carboxylate CAS Name: 1-[4-[(3-butyl-1-oxo-2-isoquinolinyl)methyl]-3-chlorophenyl]sulfonyl-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[(3-butyl-1-oxoisoquinolin-2-yl)methyl]-3-chlorophenyl]sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[4-[(3-butyl-1-keto-2-isoquinolyl)methyl]-3-chloro-phenyl]sulfonylpyrrolidine-2-carboxylic acid tert-butyl ester Formula: C29H35ClN2O5S MolecularWeight: 559.1166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=O)N1CC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=O)N1CC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C29H35ClN2O5S/c1-5-6-11-22-17-20-10-7-8-12-24(20)27(33)31(22)19-21-14-15-23(18-25(21)30)38(35,36)32-16-9-13-26(32)28(34)37-29(2,3)4/h7-8,10,12,14-15,17-18,26H,5-6,9,11,13,16,19H2,1-4H3