4-[[4-methoxy-3-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[4-methoxy-3-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[[4-methoxy-3-[methyl(p-tolylsulfonyl)amino]phenyl]sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[[4-methoxy-3-[methyl-(4-methylphenyl)sulfonylamino]phenyl]sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[[4-methoxy-3-[methyl-(4-methylphenyl)sulfonylamino]phenyl]sulfonyl-methylamino]butanoic acid Traditional Name: 4-[[4-methoxy-3-[methyl(tosyl)amino]phenyl]sulfonyl-methyl-amino]butyric acid Formula: C20H26N2O7S2 MolecularWeight: 470.55964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O7S2/c1-15-7-9-16(10-8-15)31(27,28)22(3)18-14-17(11-12-19(18)29-4)30(25,26)21(2)13-5-6-20(23)24/h7-12,14H,5-6,13H2,1-4H3,(H,23,24)