3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[[2-(phenylsulfonyl)phenyl]amino]propanoic acid

Systemtic Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[[2-(phenylsulfonyl)phenyl]amino]propanoic acid Openeye Name: 2-[2-(benzenesulfonyl)anilino]-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]propanoic acid CAS Name: 2-[2-(benzenesulfonyl)anilino]-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]propanoic acid IUPAC Name: 2-[2-(benzenesulfonyl)anilino]-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]propanoic acid Traditional Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-(2-besylanilino)propionic acid Formula: C31H29N3O6S MolecularWeight: 571.64346

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C31H29N3O6S/c1-34(31-33-25-11-5-7-13-28(25)40-31)19-20-39-23-17-15-22(16-18-23)21-27(30(35)36)32-26-12-6-8-14-29(26)41(37,38)24-9-3-2-4-10-24/h2-18,27,32H,19-21H2,1H3,(H,35,36)