N1,N3-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N1,N3-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]benzene-1,3-disulfonamide Openeye Name: N1,N3-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]benzene-1,3-disulfonamide CAS Name: N1,N3-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 1-N,3-N-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]benzene-1,3-disulfonamide Traditional Name: N,N'-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]benzene-1,3-disulfonamide Formula: C24H26N4O12S4 MolecularWeight: 690.74284

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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(=CC=C2)S(=O)(=O)NC3=CC(=C(C(=C3)C)S(=O)(=O)C[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC(=C(C(=C3)C)S(=O)(=O)C[N+](=O)[O-])C

InChI

InChI=1S/C24H26N4O12S4/c1-15-8-19(9-16(2)23(15)41(33,34)13-27(29)30)25-43(37,38)21-6-5-7-22(12-21)44(39,40)26-20-10-17(3)24(18(4)11-20)42(35,36)14-28(31)32/h5-12,25-26H,13-14H2,1-4H3