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

Systemtic Name: 4-[[4-chloranyl-2-[pentyl(phenylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(pentyl)amino]-4-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(pentyl)amino]-4-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(pentyl)amino]-4-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[amyl(besyl)amino]-4-chloro-phenoxy]methyl]benzoic acid Formula: C25H26ClNO5S MolecularWeight: 487.99564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClNO5S/c1-2-3-7-16-27(33(30,31)22-8-5-4-6-9-22)23-17-21(26)14-15-24(23)32-18-19-10-12-20(13-11-19)25(28)29/h4-6,8-15,17H,2-3,7,16,18H2,1H3,(H,28,29)