4-methyl-N-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)methyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)methyl]benzenesulfonamide Openeye Name: 4-methyl-N-[(3-nitrophenyl)-(p-tolylsulfonyl)methyl]benzenesulfonamide CAS Name: 4-methyl-N-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)methyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)methyl]benzenesulfonamide Traditional Name: 4-methyl-N-[(3-nitrophenyl)-tosyl-methyl]benzenesulfonamide Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC(=CC=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC(=CC=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C

InChI

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