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

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-methyl-benzenesulfonamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-methyl-benzenesulfonamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-methylbenzenesulfonamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-methylbenzenesulfonamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-methyl-benzenesulfonamide Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC(=C(C(=C2)C)S(=O)(=O)C[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC(=C(C(=C2)C)S(=O)(=O)C[N+](=O)[O-])C

InChI

InChI=1S/C16H18N2O6S2/c1-11-5-4-6-15(7-11)26(23,24)17-14-8-12(2)16(13(3)9-14)25(21,22)10-18(19)20/h4-9,17H,10H2,1-3H3