[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C(=O)NC(=O)NC)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H21N3O6S/c1-11(14(20)18-16(22)17-2)25-15(21)12-6-5-7-13(10-12)26(23,24)19-8-3-4-9-19/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,17,18,20,22)