(4-oxidanylidene-4-thiophen-2-yl-butyl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N2O5S2/c1-22(2)30(26,27)16-9-10-18(23-11-3-4-12-23)17(15-16)21(25)28-13-5-7-19(24)20-8-6-14-29-20/h6,8-10,14-15H,3-5,7,11-13H2,1-2H3