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

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23N3O6S/c1-22-21(27)23-19(25)18(15-8-3-2-4-9-15)30-20(26)16-10-7-11-17(14-16)31(28,29)24-12-5-6-13-24/h2-4,7-11,14,18H,5-6,12-13H2,1H3,(H2,22,23,25,27)