methyl (1S,2R,6R)-2-methyl-6-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R,6R)-2-methyl-6-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,6R)-2-methyl-6-(p-tolylsulfonylamino)cyclohexanecarboxylate CAS Name: (1S,2R,6R)-2-methyl-6-[(4-methylphenyl)sulfonylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,6R)-2-methyl-6-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate Traditional Name: (1S,2R,6R)-2-methyl-6-(tosylamino)cyclohexanecarboxylic acid methyl ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

C[C@@H]1CCC[C@H]([C@H]1C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H23NO4S/c1-11-7-9-13(10-8-11)22(19,20)17-14-6-4-5-12(2)15(14)16(18)21-3/h7-10,12,14-15,17H,4-6H2,1-3H3/t12-,14-,15+/m1/s1