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

Systemtic Name: 4-[[4-chloranyl-2-[phenylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(isopropyl)amino]-4-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(propan-2-yl)amino]-4-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(propan-2-yl)amino]-4-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(isopropyl)amino]-4-chloro-phenoxy]methyl]benzoic acid Formula: C23H22ClNO5S MolecularWeight: 459.94248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO5S/c1-16(2)25(31(28,29)20-6-4-3-5-7-20)21-14-19(24)12-13-22(21)30-15-17-8-10-18(11-9-17)23(26)27/h3-14,16H,15H2,1-2H3,(H,26,27)