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

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-4-phenyl-benzenesulfonamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-4-phenyl-benzenesulfonamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-4-phenylbenzenesulfonamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-4-phenylbenzenesulfonamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-4-phenyl-benzenesulfonamide Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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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)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6S2/c1-15-12-19(13-16(2)21(15)30(26,27)14-23(24)25)22-31(28,29)20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-13,22H,14H2,1-2H3