methylsulfonyl-[2-[[(1S)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]azaniumyl]ethyl]azanide

Systemtic Name: methylsulfonyl-[2-[[(1S)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]azaniumyl]ethyl]azanide Openeye Name: methylsulfonyl-[2-[[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonio]ethyl]azanide CAS Name: methylsulfonyl-[2-[[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonio]ethyl]azanide IUPAC Name: methylsulfonyl-[2-[[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]azaniumyl]ethyl]azanide Traditional Name: 2-[[(1S)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]ammonio]ethyl-mesyl-azanide Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CC[N-]S(=O)(=O)C

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CC[N-]S(=O)(=O)C

InChI

InChI=1S/C13H18N3O4S/c1-9(14-5-6-15-21(2,18)19)10-3-4-12-11(7-10)16-13(17)8-20-12/h3-4,7,9,14H,5-6,8H2,1-2H3,(H,16,17)/q-1/p+1/t9-/m0/s1