4-[4-[2-chloranyl-5-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]butanoylamino]butanoic acid

Systemtic Name: 4-[4-[2-chloranyl-5-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]butanoylamino]butanoic acid Openeye Name: 4-[4-[5-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]-2-chloro-phenoxy]butanoylamino]butanoic acid CAS Name: 4-[[4-[2-chloro-5-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]-1-oxobutyl]amino]butanoic acid IUPAC Name: 4-[4-[5-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]-2-chlorophenoxy]butanoylamino]butanoic acid Traditional Name: 4-[4-[5-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]-2-chloro-phenoxy]butanoylamino]butyric acid Formula: C36H40ClN3O7S MolecularWeight: 694.2367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H40ClN3O7S/c1-26-32(39-48(2,44)45)11-6-12-33(26)40(24-27-9-4-3-5-10-27)25-28-15-17-29(18-16-28)47-30-19-20-31(37)34(23-30)46-22-8-13-35(41)38-21-7-14-36(42)43/h3-6,9-12,15-20,23,39H,7-8,13-14,21-22,24-25H2,1-2H3,(H,38,41)(H,42,43)