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

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)sulfonylamino]ethanoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate CAS Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-cyanophenyl)sulfonylamino]acetic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C20H23N3O5S/c1-4-9-23-14(2)10-18(15(23)3)19(24)13-28-20(25)12-22-29(26,27)17-7-5-16(11-21)6-8-17/h5-8,10,22H,4,9,12-13H2,1-3H3