tert-butyl (1R,4S)-2-(4-methylphenyl)sulfonyl-3-oxidanylidene-7-azabicyclo[2.2.1]hept-5-ene-7-carboxylate

Systemtic Name: tert-butyl (1R,4S)-2-(4-methylphenyl)sulfonyl-3-oxidanylidene-7-azabicyclo[2.2.1]hept-5-ene-7-carboxylate Openeye Name: tert-butyl (1R,4S)-3-oxo-2-(p-tolylsulfonyl)-7-azabicyclo[2.2.1]hept-5-ene-7-carboxylate CAS Name: (1R,4S)-2-(4-methylphenyl)sulfonyl-3-oxo-7-azabicyclo[2.2.1]hept-5-ene-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,4S)-2-(4-methylphenyl)sulfonyl-3-oxo-7-azabicyclo[2.2.1]hept-5-ene-7-carboxylate Traditional Name: (1R,4S)-3-keto-2-tosyl-7-azabicyclo[2.2.1]hept-5-ene-7-carboxylic acid tert-butyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2C3C=CC(C2=O)N3C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2[C@H]3C=C[C@@H](C2=O)N3C(=O)OC(C)(C)C

InChI

InChI=1S/C18H21NO5S/c1-11-5-7-12(8-6-11)25(22,23)16-14-10-9-13(15(16)20)19(14)17(21)24-18(2,3)4/h5-10,13-14,16H,1-4H3/t13-,14+,16?/m0/s1