N-methyl-3-nitro-N-[(1R,2R)-2-oxidanylcyclohexyl]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-N-[(1R,2R)-2-oxidanylcyclohexyl]benzenesulfonamide Openeye Name: N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-3-nitro-benzenesulfonamide Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5S/c1-14(12-7-2-3-8-13(12)16)21(19,20)11-6-4-5-10(9-11)15(17)18/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/m1/s1