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

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl] ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-2-5-16(21)24-11-15(20)18-12-6-3-7-13(10-12)25(22,23)19-14-8-4-9-17-14/h3,6-7,10H,2,4-5,8-9,11H2,1H3,(H,17,19)(H,18,20)