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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC=C)S(=O)(=O)N2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC=C)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H22N2O6S/c1-3-8-18-16(20)12-25-17(21)13-6-7-14(24-2)15(11-13)26(22,23)19-9-4-5-10-19/h3,6-7,11H,1,4-5,8-10,12H2,2H3,(H,18,20)