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

Systemtic Name: tert-butyl (1R,4S)-3-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate Openeye Name: tert-butyl (1R,4S)-3-(p-tolylsulfonyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate CAS Name: (1R,4S)-3-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,4S)-3-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate Traditional Name: (1R,4S)-3-tosyl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylic acid tert-butyl ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3CCC2N3C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23NO4S/c1-12-5-8-14(9-6-12)24(21,22)16-11-13-7-10-15(16)19(13)17(20)23-18(2,3)4/h5-6,8-9,11,13,15H,7,10H2,1-4H3/t13-,15+/m1/s1