3-[[2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]-2-phenyl-propanoic acid

Systemtic Name: 3-[[2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]-2-phenyl-propanoic acid Openeye Name: 3-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-phenyl-propanoic acid CAS Name: 3-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-phenylpropanoic acid IUPAC Name: 3-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-phenylpropanoic acid Traditional Name: 3-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-phenyl-propionic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C(CNCC(C2=CC=CC=C2)C(=O)O)O)O

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(CNCC(C2=CC=CC=C2)C(=O)O)O)O

InChI

InChI=1S/C18H22N2O6S/c1-27(25,26)20-15-9-13(7-8-16(15)21)17(22)11-19-10-14(18(23)24)12-5-3-2-4-6-12/h2-9,14,17,19-22H,10-11H2,1H3,(H,23,24)