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

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic 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] 4-methylpentanoate Traditional Name: 4-methylvaleric 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)CCC(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-13(2)8-9-18(23)26-12-17(22)20-14-5-3-6-15(11-14)27(24,25)21-16-7-4-10-19-16/h3,5-6,11,13H,4,7-10,12H2,1-2H3,(H,19,21)(H,20,22)