[(1S,2S)-2-[(4-methylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]cyclohexyl] methanesulfonate

Systemtic Name: [(1S,2S)-2-[(4-methylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]cyclohexyl] methanesulfonate Openeye Name: [(1S,2S)-2-[p-tolylsulfonyl(2-pyridylmethyl)amino]cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,2S)-2-[(4-methylphenyl)sulfonyl-(2-pyridinylmethyl)amino]cyclohexyl] ester IUPAC Name: [(1S,2S)-2-[(4-methylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]cyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2S)-2-[2-pyridylmethyl(tosyl)amino]cyclohexyl] ester Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=N2)C3CCCCC3OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=N2)[C@H]3CCCC[C@@H]3OS(=O)(=O)C

InChI

InChI=1S/C20H26N2O5S2/c1-16-10-12-18(13-11-16)29(25,26)22(15-17-7-5-6-14-21-17)19-8-3-4-9-20(19)27-28(2,23)24/h5-7,10-14,19-20H,3-4,8-9,15H2,1-2H3/t19-,20-/m0/s1