4-[[5-chloranyl-2-[phenylsulfonyl(propan-2-yl)amino]phenoxy]methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[5-chloranyl-2-[phenylsulfonyl(propan-2-yl)amino]phenoxy]methyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(isopropyl)amino]-5-chloro-phenoxy]methyl]-2-hydroxy-benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-chlorophenoxy]methyl]-2-hydroxybenzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-chlorophenoxy]methyl]-2-hydroxybenzoic acid Traditional Name: 4-[[2-[besyl(isopropyl)amino]-5-chloro-phenoxy]methyl]-2-hydroxy-benzoic acid Formula: C23H22ClNO6S MolecularWeight: 475.94188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO6S/c1-15(2)25(32(29,30)18-6-4-3-5-7-18)20-11-9-17(24)13-22(20)31-14-16-8-10-19(23(27)28)21(26)12-16/h3-13,15,26H,14H2,1-2H3,(H,27,28)