[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C16H19ClN2O5S MolecularWeight: 386.85046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O5S/c1-2-7-18-15(20)11-24-16(21)12-5-6-13(17)14(10-12)25(22,23)19-8-3-4-9-19/h2,5-6,10H,1,3-4,7-9,11H2,(H,18,20)