2-[[2-methyl-4-oxidanylidene-1-(sulfomethoxy)azetidin-3-yl]amino]-2-oxidanylidene-1-phenyl-ethanesulfonic acid

Systemtic Name: 2-[[2-methyl-4-oxidanylidene-1-(sulfomethoxy)azetidin-3-yl]amino]-2-oxidanylidene-1-phenyl-ethanesulfonic acid Openeye Name: 2-[[2-methyl-4-oxo-1-(sulfomethoxy)azetidin-3-yl]amino]-2-oxo-1-phenyl-ethanesulfonic acid CAS Name: 2-[[2-methyl-4-oxo-1-(sulfomethoxy)-3-azetidinyl]amino]-2-oxo-1-phenylethanesulfonic acid IUPAC Name: 2-[[2-methyl-4-oxo-1-(sulfomethoxy)azetidin-3-yl]amino]-2-oxo-1-phenylethanesulfonic acid Traditional Name: 2-keto-2-[[2-keto-4-methyl-1-(sulfomethoxy)azetidin-3-yl]amino]-1-phenyl-ethanesulfonic acid Formula: C13H16N2O9S2 MolecularWeight: 408.40414

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1OCS(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1C(C(=O)N1OCS(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C13H16N2O9S2/c1-8-10(13(17)15(8)24-7-25(18,19)20)14-12(16)11(26(21,22)23)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H,14,16)(H,18,19,20)(H,21,22,23)