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

Systemtic Name: 2-[4-[4-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenyl]butanoylamino]pentanedioic acid Openeye Name: 2-[4-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenyl]butanoylamino]pentanedioic acid CAS Name: 2-[[4-[4-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenyl]-1-oxobutyl]amino]pentanedioic acid IUPAC Name: 2-[4-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenyl]butanoylamino]pentanedioic acid Traditional Name: 2-[4-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenyl]butanoylamino]glutaric acid Formula: C37H41N3O8S MolecularWeight: 687.80174

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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)CCCC(=O)NC(CCC(=O)O)C(=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)CCCC(=O)NC(CCC(=O)O)C(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C37H41N3O8S/c1-26-32(39-49(2,46)47)11-7-12-34(26)40(24-28-8-4-3-5-9-28)25-29-16-20-31(21-17-29)48-30-18-14-27(15-19-30)10-6-13-35(41)38-33(37(44)45)22-23-36(42)43/h3-5,7-9,11-12,14-21,33,39H,6,10,13,22-25H2,1-2H3,(H,38,41)(H,42,43)(H,44,45)