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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoate CAS Name: 3-[(4-methoxyphenyl)-methylsulfamoyl]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-[(4-methoxyphenyl)-methylsulfamoyl]benzoate Traditional Name: 3-[(4-methoxyphenyl)-methyl-sulfamoyl]benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6S/c1-6-14-28-18(2)15-24(19(28)3)25(29)17-34-26(30)20-8-7-9-23(16-20)35(31,32)27(4)21-10-12-22(33-5)13-11-21/h6-13,15-16H,1,14,17H2,2-5H3