[2-methyl-4-[[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]amino]phenyl]-methylsulfonyl-azanide

Systemtic Name: [2-methyl-4-[[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]amino]phenyl]-methylsulfonyl-azanide Openeye Name: [4-[[(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]amino]-2-methyl-phenyl]-methylsulfonyl-azanide CAS Name: [2-methyl-4-[[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]phenyl]-methylsulfonylazanide IUPAC Name: [2-methyl-4-[[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]phenyl]-methylsulfonylazanide Traditional Name: [4-[[(1S)-2-(allylamino)-2-keto-1-methyl-ethyl]amino]-2-methyl-phenyl]-mesyl-azanide Formula: C14H20N3O3S- MolecularWeight: 310.3919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(C)C(=O)NCC=C)[N-]S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)N[C@@H](C)C(=O)NCC=C)[N-]S(=O)(=O)C

InChI

InChI=1S/C14H20N3O3S/c1-5-8-15-14(18)11(3)16-12-6-7-13(10(2)9-12)17-21(4,19)20/h5-7,9,11,16H,1,8H2,2-4H3,(H,15,18)/q-1/t11-/m0/s1