4-[3-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]butanoic acid

Systemtic Name: 4-[3-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]butanoic acid Openeye Name: 4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]butanoic acid CAS Name: 4-[3-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]butanoic acid IUPAC Name: 4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]butanoic acid Traditional Name: 4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]butyric acid Formula: C32H34N2O6S MolecularWeight: 574.68716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC(=CC=C4)OCCCC(=O)O)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC(=CC=C4)OCCCC(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C32H34N2O6S/c1-24-30(33-41(2,37)38)13-7-14-31(24)34(22-25-9-4-3-5-10-25)23-26-16-18-27(19-17-26)40-29-12-6-11-28(21-29)39-20-8-15-32(35)36/h3-7,9-14,16-19,21,33H,8,15,20,22-23H2,1-2H3,(H,35,36)