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

Systemtic Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-sulfamoylbenzoate Openeye Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H19BrN2O5S MolecularWeight: 491.35496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H19BrN2O5S/c1-13-11-19(14(2)24(13)17-7-5-16(22)6-8-17)20(25)12-29-21(26)15-3-9-18(10-4-15)30(23,27)28/h3-11H,12H2,1-2H3,(H2,23,27,28)