sodium 3-[methylsulfonyl(2-phenylazanylethanoyl)amino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[methylsulfonyl(2-phenylazanylethanoyl)amino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[(2-anilinoacetyl)-methylsulfonyl-amino]-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[(2-anilino-1-oxoethyl)-methylsulfonylamino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[(2-anilinoacetyl)-methylsulfonylamino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[(2-anilinoacetyl)-mesyl-amino]-2-keto-azetidine-1-sulfonate Formula: C12H14N3NaO7S2 MolecularWeight: 399.37523

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C1CN(C1=O)S(=O)(=O)[O-])C(=O)CNC2=CC=CC=C2.[Na+]

Isomeric SMILES

CS(=O)(=O)N(C1CN(C1=O)S(=O)(=O)[O-])C(=O)CNC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C12H15N3O7S2.Na/c1-23(18,19)15(10-8-14(12(10)17)24(20,21)22)11(16)7-13-9-5-3-2-4-6-9;/h2-6,10,13H,7-8H2,1H3,(H,20,21,22);/q;+1/p-1