5-morpholin-4-ylsulfonyl-2-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]oxy-benzoic acid

Systemtic Name: 5-morpholin-4-ylsulfonyl-2-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]oxy-benzoic acid Openeye Name: 2-[2-(allylamino)-1-methyl-2-oxo-ethoxy]-5-morpholinosulfonyl-benzoic acid CAS Name: 5-(4-morpholinylsulfonyl)-2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]oxybenzoic acid IUPAC Name: 5-morpholin-4-ylsulfonyl-2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]oxybenzoic acid Traditional Name: 2-[2-(allylamino)-2-keto-1-methyl-ethoxy]-5-morpholinosulfonyl-benzoic acid Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)O

Isomeric SMILES

CC(C(=O)NCC=C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)O

InChI

InChI=1S/C17H22N2O7S/c1-3-6-18-16(20)12(2)26-15-5-4-13(11-14(15)17(21)22)27(23,24)19-7-9-25-10-8-19/h3-5,11-12H,1,6-10H2,2H3,(H,18,20)(H,21,22)