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

Systemtic Name: 6-oxidanylidene-4-(phenylcarbamoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 6-oxo-4-(phenylcarbamoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 4-[anilino(oxo)methyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 6-oxo-4-(phenylcarbamoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 6-keto-4-(phenylcarbamoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C12H13N3O5S/c16-11-10-9(15(11)21(18,19)20)6-7-14(10)12(17)13-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,17)(H,18,19,20)