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

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic 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-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl] ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C22H25N3O5S/c1-15(2)16-8-10-17(11-9-16)22(27)30-14-21(26)24-18-5-3-6-19(13-18)31(28,29)25-20-7-4-12-23-20/h3,5-6,8-11,13,15H,4,7,12,14H2,1-2H3,(H,23,25)(H,24,26)