[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl] ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2

InChI

InChI=1S/C18H25N3O5S/c1-18(2,3)11-17(23)26-12-16(22)20-13-6-4-7-14(10-13)27(24,25)21-15-8-5-9-19-15/h4,6-7,10H,5,8-9,11-12H2,1-3H3,(H,19,21)(H,20,22)