methanesulfonamide; 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: methanesulfonamide; 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]butanoic acid Openeye Name: methanesulfonamide; 4-methylsulfanyl-2-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]butanoic acid CAS Name: methanesulfonamide; 4-(methylthio)-2-[[oxo-[2-phenyl-4-(3-pyridinyloxymethyl)phenyl]methyl]amino]butanoic acid IUPAC Name: methanesulfonamide; 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]butanoic acid Traditional Name: methanesulfonamide; 4-(methylthio)-2-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]butyric acid Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3.CS(=O)(=O)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC=C3.CS(=O)(=O)N

InChI

InChI=1S/C24H24N2O4S.CH5NO2S/c1-31-13-11-22(24(28)29)26-23(27)20-10-9-17(16-30-19-8-5-12-25-15-19)14-21(20)18-6-3-2-4-7-18;1-5(2,3)4/h2-10,12,14-15,22H,11,13,16H2,1H3,(H,26,27)(H,28,29);1H3,(H2,2,3,4)