3-[methylsulfonyl(2-phenylazanylethanoyl)amino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[methylsulfonyl(2-phenylazanylethanoyl)amino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[(2-anilinoacetyl)-methylsulfonyl-amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[(2-anilino-1-oxoethyl)-methylsulfonylamino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[(2-anilinoacetyl)-methylsulfonylamino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[(2-anilinoacetyl)-mesyl-amino]-2-keto-azetidine-1-sulfonic acid Formula: C12H15N3O7S2 MolecularWeight: 377.3934

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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

Isomeric SMILES

CS(=O)(=O)N(C1CN(C1=O)S(=O)(=O)O)C(=O)CNC2=CC=CC=C2

InChI

InChI=1S/C12H15N3O7S2/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)