4-[[2,4-dimethyl-3-[methyl(phenylsulfonyl)amino]phenyl]sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[2,4-dimethyl-3-[methyl(phenylsulfonyl)amino]phenyl]sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[[3-[benzenesulfonyl(methyl)amino]-2,4-dimethyl-phenyl]sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[[3-[benzenesulfonyl(methyl)amino]-2,4-dimethylphenyl]sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[[3-[benzenesulfonyl(methyl)amino]-2,4-dimethylphenyl]sulfonyl-methylamino]butanoic acid Traditional Name: 4-[[3-[besyl(methyl)amino]-2,4-dimethyl-phenyl]sulfonyl-methyl-amino]butyric acid Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6S2/c1-15-12-13-18(30(27,28)21(3)14-8-11-19(23)24)16(2)20(15)22(4)29(25,26)17-9-6-5-7-10-17/h5-7,9-10,12-13H,8,11,14H2,1-4H3,(H,23,24)