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

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-4-mesyl-benzenesulfonamide Formula: C16H18N2O8S3 MolecularWeight: 462.51772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H18N2O8S3/c1-11-8-13(9-12(2)16(11)28(23,24)10-18(19)20)17-29(25,26)15-6-4-14(5-7-15)27(3,21)22/h4-9,17H,10H2,1-3H3