3-[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenoxy]sulfonyl-4-methylbenzoic acid IUPAC Name: 3-[4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenoxy]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-4-methyl-benzoic acid Formula: C23H23NO7S2 MolecularWeight: 489.56122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C23H23NO7S2/c1-15-5-6-16(2)21(13-15)32(27,28)24(4)19-9-11-20(12-10-19)31-33(29,30)22-14-18(23(25)26)8-7-17(22)3/h5-14H,1-4H3,(H,25,26)