6-oxidanylidene-4-(2-phenylazanylethanoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid

Systemtic Name: 6-oxidanylidene-4-(2-phenylazanylethanoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 4-(2-anilinoacetyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 4-(2-anilino-1-oxoethyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 4-(2-anilinoacetyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 4-(2-anilinoacetyl)-6-keto-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)CNC3=CC=CC=C3

Isomeric SMILES

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)CNC3=CC=CC=C3

InChI

InChI=1S/C13H15N3O5S/c17-11(8-14-9-4-2-1-3-5-9)15-7-6-10-12(15)13(18)16(10)22(19,20)21/h1-5,10,12,14H,6-8H2,(H,19,20,21)