(2-acetamido-1,3-thiazol-4-yl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-pyrrolidino-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=CSC(=N3)NC(=O)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=CSC(=N3)NC(=O)C

InChI

InChI=1S/C21H28N4O5S2/c1-4-25(5-2)32(28,29)17-8-9-19(24-10-6-7-11-24)18(12-17)20(27)30-13-16-14-31-21(23-16)22-15(3)26/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,22,23,26)