[2-methoxy-5-[[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]azaniumyl]phenyl]-methylsulfonyl-azanide

Systemtic Name: [2-methoxy-5-[[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]azaniumyl]phenyl]-methylsulfonyl-azanide Openeye Name: [5-[[(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl]ammonio]-2-methoxy-phenyl]-methylsulfonyl-azanide CAS Name: [2-methoxy-5-[[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]ammonio]phenyl]-methylsulfonylazanide IUPAC Name: [2-methoxy-5-[[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]azaniumyl]phenyl]-methylsulfonylazanide Traditional Name: [5-[[(1R)-2-(allylamino)-2-keto-1-methyl-ethyl]ammonio]-2-methoxy-phenyl]-mesyl-azanide Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)[NH2+]C1=CC(=C(C=C1)OC)[N-]S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NCC=C)[NH2+]C1=CC(=C(C=C1)OC)[N-]S(=O)(=O)C

InChI

InChI=1S/C14H20N3O4S/c1-5-8-15-14(18)10(2)16-11-6-7-13(21-3)12(9-11)17-22(4,19)20/h5-7,9-10,16H,1,8H2,2-4H3,(H,15,18)/q-1/p+1/t10-/m1/s1