[(1S,3R,4S)-4-[(4-methylphenyl)sulfonylamino]-3-phenyl-cyclohexyl] methanesulfonate

Systemtic Name: [(1S,3R,4S)-4-[(4-methylphenyl)sulfonylamino]-3-phenyl-cyclohexyl] methanesulfonate Openeye Name: [(1S,3R,4S)-3-phenyl-4-(p-tolylsulfonylamino)cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,3R,4S)-4-[(4-methylphenyl)sulfonylamino]-3-phenylcyclohexyl] ester IUPAC Name: [(1S,3R,4S)-4-[(4-methylphenyl)sulfonylamino]-3-phenylcyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,3R,4S)-3-phenyl-4-(tosylamino)cyclohexyl] ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CCC(CC2C3=CC=CC=C3)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@@H](C[C@@H]2C3=CC=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C20H25NO5S2/c1-15-8-11-18(12-9-15)28(24,25)21-20-13-10-17(26-27(2,22)23)14-19(20)16-6-4-3-5-7-16/h3-9,11-12,17,19-21H,10,13-14H2,1-2H3/t17-,19+,20-/m0/s1