[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21ClN2O5S MolecularWeight: 400.87704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

InChI

InChI=1S/C17H21ClN2O5S/c1-3-8-19-16(21)12(2)25-17(22)14-11-13(6-7-15(14)18)26(23,24)20-9-4-5-10-20/h3,6-7,11-12H,1,4-5,8-10H2,2H3,(H,19,21)