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

Systemtic Name: 2-[methyl-[4-[4-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]butanoyl]amino]ethanoic acid Openeye Name: 2-[4-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]butanoyl-methyl-amino]acetic acid CAS Name: 2-[[4-[4-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]-1-oxobutyl]-methylamino]acetic acid IUPAC Name: 2-[4-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]butanoyl-methylamino]acetic acid Traditional Name: 2-[4-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]butanoyl-methyl-amino]acetic acid Formula: C35H39N3O7S MolecularWeight: 645.76506

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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=C(C=C4)OCCCC(=O)N(C)CC(=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)OCCCC(=O)N(C)CC(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C35H39N3O7S/c1-26-32(36-46(3,42)43)11-7-12-33(26)38(23-27-9-5-4-6-10-27)24-28-14-16-30(17-15-28)45-31-20-18-29(19-21-31)44-22-8-13-34(39)37(2)25-35(40)41/h4-7,9-12,14-21,36H,8,13,22-25H2,1-3H3,(H,40,41)