[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [(1R)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-1-methyl-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [(2R)-1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [(1R)-2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-1-methyl-ethyl] ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C

InChI

InChI=1S/C17H23ClN2O5S/c1-10-6-11(2)9-20(8-10)16(21)12(3)25-17(22)13-4-5-14(18)15(7-13)26(19,23)24/h4-5,7,10-12H,6,8-9H2,1-3H3,(H2,19,23,24)/t10-,11-,12-/m1/s1