2-oxidanylidene-2-[[2-oxidanylidene-1-(sulfomethyl)azetidin-3-yl]amino]-1-phenyl-ethanesulfonic acid

Systemtic Name: 2-oxidanylidene-2-[[2-oxidanylidene-1-(sulfomethyl)azetidin-3-yl]amino]-1-phenyl-ethanesulfonic acid Openeye Name: 2-oxo-2-[[2-oxo-1-(sulfomethyl)azetidin-3-yl]amino]-1-phenyl-ethanesulfonic acid CAS Name: 2-oxo-2-[[2-oxo-1-(sulfomethyl)-3-azetidinyl]amino]-1-phenylethanesulfonic acid IUPAC Name: 2-oxo-2-[[2-oxo-1-(sulfomethyl)azetidin-3-yl]amino]-1-phenylethanesulfonic acid Traditional Name: 2-keto-2-[[2-keto-1-(sulfomethyl)azetidin-3-yl]amino]-1-phenyl-ethanesulfonic acid Formula: C12H14N2O8S2 MolecularWeight: 378.37816

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1CS(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N1CS(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C12H14N2O8S2/c15-11(10(24(20,21)22)8-4-2-1-3-5-8)13-9-6-14(12(9)16)7-23(17,18)19/h1-5,9-10H,6-7H2,(H,13,15)(H,17,18,19)(H,20,21,22)