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

Systemtic Name: 4-[[4-chloranyl-2-[hexyl(phenylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(hexyl)amino]-4-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(hexyl)amino]-4-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(hexyl)amino]-4-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(hexyl)amino]-4-chloro-phenoxy]methyl]benzoic acid Formula: C26H28ClNO5S MolecularWeight: 502.02222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClNO5S/c1-2-3-4-8-17-28(34(31,32)23-9-6-5-7-10-23)24-18-22(27)15-16-25(24)33-19-20-11-13-21(14-12-20)26(29)30/h5-7,9-16,18H,2-4,8,17,19H2,1H3,(H,29,30)