[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(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] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6S/c1-4-9-19-17(21)13(2)26-18(22)14-7-8-15(25-3)16(12-14)27(23,24)20-10-5-6-11-20/h4,7-8,12-13H,1,5-6,9-11H2,2-3H3,(H,19,21)