[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)sulfonylamino]ethanoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate CAS Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C19H21N3O5S/c1-4-22-13(2)9-17(14(22)3)18(23)12-27-19(24)11-21-28(25,26)16-7-5-15(10-20)6-8-16/h5-9,21H,4,11-12H2,1-3H3