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

Systemtic Name: 2-[4-[3-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]butanoylamino]ethanoic acid Openeye Name: 2-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]butanoylamino]acetic acid CAS Name: 2-[[4-[3-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]butanoylamino]acetic acid Traditional Name: 2-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]butanoylamino]acetic acid Formula: C34H37N3O7S MolecularWeight: 631.73848

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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)NCC(=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)NCC(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C34H37N3O7S/c1-25-31(36-45(2,41)42)13-7-14-32(25)37(23-26-9-4-3-5-10-26)24-27-16-18-28(19-17-27)44-30-12-6-11-29(21-30)43-20-8-15-33(38)35-22-34(39)40/h3-7,9-14,16-19,21,36H,8,15,20,22-24H2,1-2H3,(H,35,38)(H,39,40)