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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

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