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

Systemtic Name: 4-[(4-methoxyphenyl)carbamoyl]-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 4-[(4-methoxyphenyl)carbamoyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 4-[(4-methoxyanilino)-oxomethyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 4-[(4-methoxyphenyl)carbamoyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 6-keto-4-[(4-methoxyphenyl)carbamoyl]-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:

COC1=CC=C(C=C1)NC(=O)N2CCC3C2C(=O)N3S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCC3C2C(=O)N3S(=O)(=O)O

InChI

InChI=1S/C13H15N3O6S/c1-22-9-4-2-8(3-5-9)14-13(18)15-7-6-10-11(15)12(17)16(10)23(19,20)21/h2-5,10-11H,6-7H2,1H3,(H,14,18)(H,19,20,21)