4-methylbenzenesulfonate; N-(5-methyl-4-nitro-2-oxidanyl-phenyl)-1-phenyl-methanesulfonamide

Systemtic Name: 4-methylbenzenesulfonate; N-(5-methyl-4-nitro-2-oxidanyl-phenyl)-1-phenyl-methanesulfonamide Openeye Name: N-(2-hydroxy-5-methyl-4-nitro-phenyl)-1-phenyl-methanesulfonamide; 4-methylbenzenesulfonate CAS Name: N-(2-hydroxy-5-methyl-4-nitrophenyl)-1-phenylmethanesulfonamide; 4-methylbenzenesulfonate IUPAC Name: N-(2-hydroxy-5-methyl-4-nitrophenyl)-1-phenylmethanesulfonamide; 4-methylbenzenesulfonate Traditional Name: N-(2-hydroxy-5-methyl-4-nitro-phenyl)-1-phenyl-methanesulfonamide tosylate Formula: C21H21N2O8S2- MolecularWeight: 493.53004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=C(C=C1[N+](=O)[O-])O)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=C(C=C1[N+](=O)[O-])O)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H14N2O5S.C7H8O3S/c1-10-7-12(14(17)8-13(10)16(18)19)15-22(20,21)9-11-5-3-2-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-8,15,17H,9H2,1H3;2-5H,1H3,(H,8,9,10)/p-1