[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[methoxy(methyl)sulfamoyl]benzoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[methoxy(methyl)sulfamoyl]benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-[methoxy(methyl)sulfamoyl]benzoate CAS Name: 3-[methoxy(methyl)sulfamoyl]benzoic 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] 3-[methoxy(methyl)sulfamoyl]benzoate Traditional Name: 3-[methoxy(methyl)sulfamoyl]benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)OC

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)OC

InChI

InChI=1S/C20H24N2O6S/c1-6-10-22-14(2)11-18(15(22)3)19(23)13-28-20(24)16-8-7-9-17(12-16)29(25,26)21(4)27-5/h6-9,11-12H,1,10,13H2,2-5H3