[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-sulfamoylbenzoate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-sulfamoylbenzoate Openeye Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N)C)C

InChI

InChI=1S/C23H24N2O5S/c1-14-5-8-19(11-15(14)2)25-16(3)12-21(17(25)4)22(26)13-30-23(27)18-6-9-20(10-7-18)31(24,28)29/h5-12H,13H2,1-4H3,(H2,24,28,29)