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

Systemtic Name: 4-[[2-[butyl(phenylsulfonyl)amino]-4-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(butyl)amino]-4-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(butyl)amino]-4-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(butyl)amino]-4-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(butyl)amino]-4-methyl-phenoxy]methyl]benzoic acid Formula: C25H27NO5S MolecularWeight: 453.55058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(C=CC(=C1)C)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN(C1=C(C=CC(=C1)C)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H27NO5S/c1-3-4-16-26(32(29,30)22-8-6-5-7-9-22)23-17-19(2)10-15-24(23)31-18-20-11-13-21(14-12-20)25(27)28/h5-15,17H,3-4,16,18H2,1-2H3,(H,27,28)