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

Systemtic Name: 4-[(4-hydroxyphenyl)methylcarbamoyl]-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 4-[(4-hydroxyphenyl)methylcarbamoyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 4-[[(4-hydroxyphenyl)methylamino]-oxomethyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 4-[(4-hydroxyphenyl)methylcarbamoyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 4-[(4-hydroxybenzyl)carbamoyl]-6-keto-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NCC3=CC=C(C=C3)O

Isomeric SMILES

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NCC3=CC=C(C=C3)O

InChI

InChI=1S/C13H15N3O6S/c17-9-3-1-8(2-4-9)7-14-13(19)15-6-5-10-11(15)12(18)16(10)23(20,21)22/h1-4,10-11,17H,5-7H2,(H,14,19)(H,20,21,22)