(3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-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=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

Isomeric SMILES

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

InChI

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