[(1R,3S,4R)-4-carbonazidoyl-3-(6-chloranylpyridin-3-yl)cyclohexyl] methanesulfonate

Systemtic Name: [(1R,3S,4R)-4-carbonazidoyl-3-(6-chloranylpyridin-3-yl)cyclohexyl] methanesulfonate Openeye Name: [(1R,3S,4R)-4-carbonazidoyl-3-(6-chloro-3-pyridyl)cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [(1R,3S,4R)-4-carbonazidoyl-3-(6-chloro-3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,3S,4R)-4-carbonazidoyl-3-(6-chloropyridin-3-yl)cyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [(1R,3S,4R)-4-carbonazidoyl-3-(6-chloro-3-pyridyl)cyclohexyl] ester Formula: C13H15ClN4O4S MolecularWeight: 358.8006

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCC(C(C1)C2=CN=C(C=C2)Cl)C(=O)N=[N+]=[N-]

Isomeric SMILES

CS(=O)(=O)O[C@@H]1CC[C@H]([C@H](C1)C2=CN=C(C=C2)Cl)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C13H15ClN4O4S/c1-23(20,21)22-9-3-4-10(13(19)17-18-15)11(6-9)8-2-5-12(14)16-7-8/h2,5,7,9-11H,3-4,6H2,1H3/t9-,10-,11-/m1/s1