sodium (5R,6R)-3-tert-butyl-7-oxidanylidene-6-(phenylsulfonylaminomethyl)-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (5R,6R)-3-tert-butyl-7-oxidanylidene-6-(phenylsulfonylaminomethyl)-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (5R,6R)-6-(benzenesulfonamidomethyl)-3-tert-butyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (5R,6R)-6-(benzenesulfonamidomethyl)-3-tert-butyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (5R,6R)-6-(benzenesulfonamidomethyl)-3-tert-butyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (5R,6R)-6-(benzenesulfonamidomethyl)-3-tert-butyl-7-keto-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C17H19N2NaO6S MolecularWeight: 402.39733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N2C(O1)C(C2=O)CNS(=O)(=O)C3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)C1=C(N2[C@H](O1)[C@H](C2=O)CNS(=O)(=O)C3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H20N2O6S.Na/c1-17(2,3)13-12(16(21)22)19-14(20)11(15(19)25-13)9-18-26(23,24)10-7-5-4-6-8-10;/h4-8,11,15,18H,9H2,1-3H3,(H,21,22);/q;+1/p-1/t11-,15+;/m0./s1