[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5S/c1-13(2)11-18-16(20)12-24-17(21)14-6-5-7-15(10-14)25(22,23)19-8-3-4-9-19/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3,(H,18,20)