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

Systemtic Name: 2-[methyl-[2-[4-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]ethanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]acetyl]-methyl-amino]acetic acid CAS Name: 2-[[2-[4-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]-1-oxoethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]acetyl]-methylamino]acetic acid Traditional Name: 2-[[2-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]acetyl]-methyl-amino]acetic acid Formula: C33H35N3O7S MolecularWeight: 617.7119

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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)OCC(=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)OCC(=O)N(C)CC(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C33H35N3O7S/c1-24-30(34-44(3,40)41)10-7-11-31(24)36(20-25-8-5-4-6-9-25)21-26-12-14-28(15-13-26)43-29-18-16-27(17-19-29)42-23-32(37)35(2)22-33(38)39/h4-19,34H,20-23H2,1-3H3,(H,38,39)