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

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-cyclohexylbutanoate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] 4-cyclohexylbutanoate CAS Name: 4-cyclohexylbutanoic 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-cyclohexylbutanoate Traditional Name: 4-cyclohexylbutyric acid [2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl] ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

C1CCC(CC1)CCCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C22H31N3O5S/c26-21(16-30-22(27)13-4-9-17-7-2-1-3-8-17)24-18-10-5-11-19(15-18)31(28,29)25-20-12-6-14-23-20/h5,10-11,15,17H,1-4,6-9,12-14,16H2,(H,23,25)(H,24,26)