[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinecarboxylic acid [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylisonipecotic acid [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C(C)C

InChI

InChI=1S/C22H31N3O4S2/c1-14(2)17-8-7-15(3)13-19(17)29-22(26)16-9-11-25(12-10-16)31(27,28)20-6-4-5-18-21(20)24-30-23-18/h4-6,14-17,19H,7-13H2,1-3H3/t15-,17-,19+/m1/s1