2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonyl-amino]benzenesulfinate; N-methylmethanamine

Systemtic Name: 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonyl-amino]benzenesulfinate; N-methylmethanamine Openeye Name: 2,4-dimethyl-5-[methyl(p-tolylsulfonyl)amino]benzenesulfinate; N-methylmethanamine CAS Name: 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfinate; N-methylmethanamine IUPAC Name: 2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfinate; N-methylmethanamine Traditional Name: dimethylamine; 2,4-dimethyl-5-[methyl(tosyl)amino]benzenesulfinate Formula: C18H25N2O4S2- MolecularWeight: 397.5321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC(=C(C=C2C)C)S(=O)[O-].CNC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC(=C(C=C2C)C)S(=O)[O-].CNC

InChI

InChI=1S/C16H19NO4S2.C2H7N/c1-11-5-7-14(8-6-11)23(20,21)17(4)15-10-16(22(18)19)13(3)9-12(15)2;1-3-2/h5-10H,1-4H3,(H,18,19);3H,1-2H3/p-1