(3,3-dimethyl-2-oxidanylidene-butyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H22ClNO5S MolecularWeight: 387.87828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H22ClNO5S/c1-17(2,3)15(20)11-24-16(21)12-6-7-13(18)14(10-12)25(22,23)19-8-4-5-9-19/h6-7,10H,4-5,8-9,11H2,1-3H3