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

Systemtic Name: 2-[4-[3-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]butanoylamino]pentanedioic acid Openeye Name: 2-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]butanoylamino]pentanedioic acid CAS Name: 2-[[4-[3-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]-1-oxobutyl]amino]pentanedioic acid IUPAC Name: 2-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]butanoylamino]pentanedioic acid Traditional Name: 2-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]butanoylamino]glutaric acid Formula: C37H41N3O9S MolecularWeight: 703.80114

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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)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(=CC=C4)OCCCC(=O)NC(CCC(=O)O)C(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C37H41N3O9S/c1-26-32(39-50(2,46)47)13-7-14-34(26)40(24-27-9-4-3-5-10-27)25-28-16-18-29(19-17-28)49-31-12-6-11-30(23-31)48-22-8-15-35(41)38-33(37(44)45)20-21-36(42)43/h3-7,9-14,16-19,23,33,39H,8,15,20-22,24-25H2,1-2H3,(H,38,41)(H,42,43)(H,44,45)