[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-methoxy-3-sulfamoyl-benzoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-methoxy-3-sulfamoyl-benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-methoxy-3-sulfamoyl-benzoate CAS Name: 4-methoxy-3-sulfamoylbenzoic 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] 4-methoxy-3-sulfamoylbenzoate Traditional Name: 4-methoxy-3-sulfamoyl-benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-5-8-21-12(2)9-15(13(21)3)16(22)11-27-19(23)14-6-7-17(26-4)18(10-14)28(20,24)25/h5-7,9-10H,1,8,11H2,2-4H3,(H2,20,24,25)