4-[[2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]sulfonylamino]butanoate

Systemtic Name: 4-[[2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]sulfonylamino]butanoate Openeye Name: 4-[[2,4-dimethyl-5-[methyl(p-tolylsulfonyl)amino]phenyl]sulfonylamino]butanoate CAS Name: 4-[[2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]butanoate IUPAC Name: 4-[[2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]butanoate Traditional Name: 4-[[2,4-dimethyl-5-[methyl(tosyl)amino]phenyl]sulfonylamino]butyrate Formula: C20H25N2O6S2- MolecularWeight: 453.5523

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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)NCCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6S2/c1-14-7-9-17(10-8-14)30(27,28)22(4)18-13-19(16(3)12-15(18)2)29(25,26)21-11-5-6-20(23)24/h7-10,12-13,21H,5-6,11H2,1-4H3,(H,23,24)/p-1