4-[[5-chloranyl-2-[furan-2-ylsulfonyl(2-methylpropyl)amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-chloranyl-2-[furan-2-ylsulfonyl(2-methylpropyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[5-chloro-2-[2-furylsulfonyl(isobutyl)amino]phenoxy]methyl]benzoic acid CAS Name: 4-[[5-chloro-2-[2-furanylsulfonyl(2-methylpropyl)amino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[5-chloro-2-[furan-2-ylsulfonyl(2-methylpropyl)amino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[5-chloro-2-[2-furylsulfonyl(isobutyl)amino]phenoxy]methyl]benzoic acid Formula: C22H22ClNO6S MolecularWeight: 463.93118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=C(C=C(C=C1)Cl)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CO3

Isomeric SMILES

CC(C)CN(C1=C(C=C(C=C1)Cl)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CO3

InChI

InChI=1S/C22H22ClNO6S/c1-15(2)13-24(31(27,28)21-4-3-11-29-21)19-10-9-18(23)12-20(19)30-14-16-5-7-17(8-6-16)22(25)26/h3-12,15H,13-14H2,1-2H3,(H,25,26)