3-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]sulfonyl-4-methylbenzoic acid IUPAC Name: 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-4-methyl-benzoic acid Formula: C22H21NO8S2 MolecularWeight: 491.53404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO8S2/c1-15-4-5-16(22(24)25)14-21(15)33(28,29)31-19-8-6-17(7-9-19)23(2)32(26,27)20-12-10-18(30-3)11-13-20/h4-14H,1-3H3,(H,24,25)