ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-methyl-sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[[2-keto-2-(piperonylamino)ethyl]-methyl-sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25N3O7S MolecularWeight: 451.4934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N(C)CC(=O)NCC2=CC3=C(C=C2)OCO3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N(C)CC(=O)NCC2=CC3=C(C=C2)OCO3)C)C

InChI

InChI=1S/C20H25N3O7S/c1-5-28-20(25)18-12(2)22-13(3)19(18)31(26,27)23(4)10-17(24)21-9-14-6-7-15-16(8-14)30-11-29-15/h6-8,22H,5,9-11H2,1-4H3,(H,21,24)