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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate Openeye Name: [2-(1-allyl-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-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H25N3O6S/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/h5-9,11,22H,1,10,12-13H2,2-4H3,(H,23,25)