(1S,3S,4R)-3-(6-chloranylpyridin-3-yl)-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane

Systemtic Name: (1S,3S,4R)-3-(6-chloranylpyridin-3-yl)-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane Openeye Name: (1S,3S,4R)-3-(6-chloro-3-pyridyl)-7-(p-tolylsulfonyl)-7-azabicyclo[2.2.1]heptane CAS Name: (1S,3S,4R)-3-(6-chloro-3-pyridinyl)-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane IUPAC Name: (1S,3S,4R)-3-(6-chloropyridin-3-yl)-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane Traditional Name: (1S,3S,4R)-3-(6-chloro-3-pyridyl)-7-tosyl-7-azabicyclo[2.2.1]heptane Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O2S/c1-12-2-6-15(7-3-12)24(22,23)21-14-5-8-17(21)16(10-14)13-4-9-18(19)20-11-13/h2-4,6-7,9,11,14,16-17H,5,8,10H2,1H3/t14-,16-,17+/m0/s1