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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6S/c1-12(2)18-17(23)19-15(21)11-26-16(22)13-6-5-7-14(10-13)27(24,25)20-8-3-4-9-20/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H2,18,19,21,23)