[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl] 4-methylbenzenesulfinate

Systemtic Name: [(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl] 4-methylbenzenesulfinate Openeye Name: [(1R,2R)-2-(p-tolylsulfonylamino)cyclohexyl] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl] ester IUPAC Name: [(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [(1R,2R)-2-(tosylamino)cyclohexyl] ester Formula: C20H25NO4S2 MolecularWeight: 407.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)OC2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)O[C@@H]2CCCC[C@H]2NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H25NO4S2/c1-15-7-11-17(12-8-15)26(22)25-20-6-4-3-5-19(20)21-27(23,24)18-13-9-16(2)10-14-18/h7-14,19-21H,3-6H2,1-2H3/t19-,20-,26?/m1/s1