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

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate CAS Name: 2-[(4-acetamidophenyl)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-acetamidophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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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)NC(=O)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C21H27N3O6S/c1-5-10-24-14(2)11-19(15(24)3)20(26)13-30-21(27)12-22-31(28,29)18-8-6-17(7-9-18)23-16(4)25/h6-9,11,22H,5,10,12-13H2,1-4H3,(H,23,25)