ethyl 4-[(2S)-3-[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanyl-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2S)-3-[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanyl-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2S)-3-[[5-(dimethylsulfamoyl)-2-pyridyl]sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-[[5-(dimethylsulfamoyl)-2-pyridinyl]thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanyl-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-[[5-(dimethylsulfamoyl)-2-pyridyl]thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C19H24N2O6S2 MolecularWeight: 440.53366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NC=C(C=C2)S(=O)(=O)N(C)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CSC2=NC=C(C=C2)S(=O)(=O)N(C)C)O

InChI

InChI=1S/C19H24N2O6S2/c1-4-26-19(23)14-5-7-16(8-6-14)27-12-15(22)13-28-18-10-9-17(11-20-18)29(24,25)21(2)3/h5-11,15,22H,4,12-13H2,1-3H3/t15-/m0/s1