N-methyl-N-[(2S)-3-(4-methyl-2-nitro-phenoxy)-2-oxidanyl-propyl]sulfamate

Systemtic Name: N-methyl-N-[(2S)-3-(4-methyl-2-nitro-phenoxy)-2-oxidanyl-propyl]sulfamate Openeye Name: N-[(2S)-2-hydroxy-3-(4-methyl-2-nitro-phenoxy)propyl]-N-methyl-sulfamate CAS Name: N-[(2S)-2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]-N-methylsulfamate IUPAC Name: N-[(2S)-2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]-N-methylsulfamate Traditional Name: N-[(2S)-2-hydroxy-3-(4-methyl-2-nitro-phenoxy)propyl]-N-methyl-sulfamate Formula: C11H15N2O7S- MolecularWeight: 319.311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O7S/c1-8-3-4-11(10(5-8)13(15)16)20-7-9(14)6-12(2)21(17,18)19/h3-5,9,14H,6-7H2,1-2H3,(H,17,18,19)/p-1/t9-/m0/s1