4-[[5-methyl-2-[propan-2-yl(propan-2-ylsulfonyl)amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-methyl-2-[propan-2-yl(propan-2-ylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[isopropyl(isopropylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[5-methyl-2-[propan-2-yl(propan-2-ylsulfonyl)amino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[5-methyl-2-[propan-2-yl(propan-2-ylsulfonyl)amino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[isopropyl(isopropylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)C(C)C)OCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)C(C)C)OCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H27NO5S/c1-14(2)22(28(25,26)15(3)4)19-11-6-16(5)12-20(19)27-13-17-7-9-18(10-8-17)21(23)24/h6-12,14-15H,13H2,1-5H3,(H,23,24)