7-(diphenylmethyl)-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate

Systemtic Name: 7-(diphenylmethyl)-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate Openeye Name: 7-benzhydryl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate CAS Name: 7-(diphenylmethyl)-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate IUPAC Name: 7-benzhydryl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate Traditional Name: 7-benzhydryl-5-methylsulfonyloxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate Formula: C21H20NO5S- MolecularWeight: 398.4522

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(=CC2C1N2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1CC(=CC2C1N2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C21H21NO5S/c1-28(25,26)27-18-13-16(21(23)24)12-17-20(18)22(17)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,17-20H,13H2,1H3,(H,23,24)/p-1