[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O5S/c1-13-4-6-16(7-5-13)25-14(2)10-18(15(25)3)21(26)12-30-22(27)19-11-17(31(24,28)29)8-9-20(19)23/h4-11H,12H2,1-3H3,(H2,24,28,29)