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

Systemtic Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C22H22N2O5S/c1-14-5-4-6-17(11-14)22(26)29-13-21(25)20-12-15(2)24(16(20)3)18-7-9-19(10-8-18)30(23,27)28/h4-12H,13H2,1-3H3,(H2,23,27,28)