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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[methyl(phenyl)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-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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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)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O5S/c1-5-14-27-18(2)15-23(19(27)3)24(28)17-32-25(29)20-10-9-13-22(16-20)33(30,31)26(4)21-11-7-6-8-12-21/h5-13,15-16H,1,14,17H2,2-4H3