(3,3-dimethyl-2-oxidanylidene-butyl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5S/c1-17(2,3)15(19)12-23-16(20)13-6-8-14(9-7-13)24(21,22)18-10-4-5-11-18/h6-9H,4-5,10-12H2,1-3H3