N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide Formula: C10H14N2O6S2 MolecularWeight: 322.35796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NS(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NS(=O)(=O)C

InChI

InChI=1S/C10H14N2O6S2/c1-7-4-9(11-19(3,15)16)5-8(2)10(7)20(17,18)6-12(13)14/h4-5,11H,6H2,1-3H3