4-[[2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[[2,4-dimethyl-5-[methyl(p-tolylsulfonyl)amino]phenyl]sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[[2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]phenyl]sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[[2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]phenyl]sulfonyl-methylamino]butanoic acid Traditional Name: 4-[[2,4-dimethyl-5-[methyl(tosyl)amino]phenyl]sulfonyl-methyl-amino]butyric acid Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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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)N(C)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC(=C(C=C2C)C)S(=O)(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C21H28N2O6S2/c1-15-8-10-18(11-9-15)30(26,27)23(5)19-14-20(17(3)13-16(19)2)31(28,29)22(4)12-6-7-21(24)25/h8-11,13-14H,6-7,12H2,1-5H3,(H,24,25)