2-[[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]azaniumyl]ethyl-methylsulfonyl-azanide

Systemtic Name: 2-[[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]azaniumyl]ethyl-methylsulfonyl-azanide Openeye Name: 2-[[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonio]ethyl-methylsulfonyl-azanide CAS Name: 2-[[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]ammonio]ethyl-methylsulfonylazanide IUPAC Name: 2-[[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]azaniumyl]ethyl-methylsulfonylazanide Traditional Name: mesyl-[2-[[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonio]ethyl]azanide Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]CC[N-]S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)[NH2+]CC[N-]S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N3O4S/c1-9-4-5-11(8-12(9)15(16)17)10(2)13-6-7-14-20(3,18)19/h4-5,8,10,13H,6-7H2,1-3H3/q-1/p+1/t10-/m0/s1