methyl (1S,6S)-9-(4-methylphenyl)sulfonyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxylate

Systemtic Name: methyl (1S,6S)-9-(4-methylphenyl)sulfonyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxylate Openeye Name: methyl (1S,6S)-9-(p-tolylsulfonyl)-9-azabicyclo[4.2.1]non-4-ene-5-carboxylate CAS Name: (1S,6S)-9-(4-methylphenyl)sulfonyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxylic acid methyl ester IUPAC Name: methyl (1S,6S)-9-(4-methylphenyl)sulfonyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxylate Traditional Name: (1S,6S)-9-tosyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxylic acid methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCC=C(C2CC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3CCC=C([C@@H]2CC3)C(=O)OC

InChI

InChI=1S/C17H21NO4S/c1-12-6-9-14(10-7-12)23(20,21)18-13-4-3-5-15(17(19)22-2)16(18)11-8-13/h5-7,9-10,13,16H,3-4,8,11H2,1-2H3/t13-,16-/m0/s1