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

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic 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-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-12(2)9-17(22)25-11-16(21)19-13-5-3-6-14(10-13)26(23,24)20-15-7-4-8-18-15/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,18,20)(H,19,21)