4-[[5-methyl-2-[(phenylmethyl)-propylsulfonyl-amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-methyl-2-[(phenylmethyl)-propylsulfonyl-amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzyl(propylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[5-methyl-2-[(phenylmethyl)-propylsulfonylamino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzyl(propylsulfonyl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[benzyl(propylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CC1=CC=CC=C1)C2=C(C=C(C=C2)C)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)N(CC1=CC=CC=C1)C2=C(C=C(C=C2)C)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H27NO5S/c1-3-15-32(29,30)26(17-20-7-5-4-6-8-20)23-14-9-19(2)16-24(23)31-18-21-10-12-22(13-11-21)25(27)28/h4-14,16H,3,15,17-18H2,1-2H3,(H,27,28)