(1S,4R)-7-(4-methylphenyl)sulfonyl-3-pyridin-3-yl-7-azabicyclo[2.2.1]hept-2-ene

Systemtic Name: (1S,4R)-7-(4-methylphenyl)sulfonyl-3-pyridin-3-yl-7-azabicyclo[2.2.1]hept-2-ene Openeye Name: (1S,4R)-7-(p-tolylsulfonyl)-3-(3-pyridyl)-7-azabicyclo[2.2.1]hept-2-ene CAS Name: (1S,4R)-7-(4-methylphenyl)sulfonyl-3-(3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene IUPAC Name: (1S,4R)-7-(4-methylphenyl)sulfonyl-3-pyridin-3-yl-7-azabicyclo[2.2.1]hept-2-ene Traditional Name: (1S,4R)-3-(3-pyridyl)-7-tosyl-7-azabicyclo[2.2.1]hept-2-ene Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCC2C(=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]3CC[C@@H]2C(=C3)C4=CN=CC=C4

InChI

InChI=1S/C18H18N2O2S/c1-13-4-7-16(8-5-13)23(21,22)20-15-6-9-18(20)17(11-15)14-3-2-10-19-12-14/h2-5,7-8,10-12,15,18H,6,9H2,1H3/t15-,18+/m0/s1