[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-bromanyl-5-(propan-2-ylsulfamoyl)benzoate

Systemtic Name: [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-bromanyl-5-(propan-2-ylsulfamoyl)benzoate Openeye Name: [2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 2-bromo-5-(isopropylsulfamoyl)benzoate CAS Name: 2-bromo-5-(propan-2-ylsulfamoyl)benzoic acid [2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-bromo-5-(propan-2-ylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(isopropylsulfamoyl)benzoic acid [2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C19H27BrN2O5S MolecularWeight: 475.39708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC(C)C)Br)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC(C)C)Br)C

InChI

InChI=1S/C19H27BrN2O5S/c1-12(2)21-28(25,26)15-5-6-17(20)16(8-15)19(24)27-11-18(23)22-9-13(3)7-14(4)10-22/h5-6,8,12-14,21H,7,9-11H2,1-4H3/t13-,14-/m0/s1