2-[[4-[[3-(methylsulfonylamino)phenoxy]methyl]phenyl]methoxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[[3-(methylsulfonylamino)phenoxy]methyl]phenyl]methoxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[[3-(methanesulfonamido)phenoxy]methyl]phenyl]methoxycarbonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[[3-(methanesulfonamido)phenoxy]methyl]phenyl]methoxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[[3-(methanesulfonamido)phenoxy]methyl]phenyl]methoxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[[3-(methanesulfonamido)phenoxy]methyl]benzyl]oxycarbonylamino]-3-phenyl-propionic acid Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=CC=C1)OCC2=CC=C(C=C2)COC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC(=CC=C1)OCC2=CC=C(C=C2)COC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H26N2O7S/c1-35(31,32)27-21-8-5-9-22(15-21)33-16-19-10-12-20(13-11-19)17-34-25(30)26-23(24(28)29)14-18-6-3-2-4-7-18/h2-13,15,23,27H,14,16-17H2,1H3,(H,26,30)(H,28,29)