4-[[2,4-dimethyl-5-[methyl(phenylsulfonyl)amino]phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-[[2,4-dimethyl-5-[methyl(phenylsulfonyl)amino]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[5-[benzenesulfonyl(methyl)amino]-2,4-dimethyl-phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[5-[benzenesulfonyl(methyl)amino]-2,4-dimethylphenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[5-[benzenesulfonyl(methyl)amino]-2,4-dimethylphenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[5-[besyl(methyl)amino]-2,4-dimethyl-phenyl]sulfonylamino]butyric acid Formula: C19H24N2O6S2 MolecularWeight: 440.53366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N(C)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)NCCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1N(C)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)NCCCC(=O)O)C

InChI

InChI=1S/C19H24N2O6S2/c1-14-12-15(2)18(28(24,25)20-11-7-10-19(22)23)13-17(14)21(3)29(26,27)16-8-5-4-6-9-16/h4-6,8-9,12-13,20H,7,10-11H2,1-3H3,(H,22,23)