methyl 3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]-4-methyl-benzoate

Systemtic Name: methyl 3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]-4-methyl-benzoate Openeye Name: methyl 3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]-4-methyl-benzoate CAS Name: 3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]sulfamoyl]-4-methylbenzoate Traditional Name: 4-methyl-3-[[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid methyl ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C19H21N3O6S2/c1-13-8-9-14(19(23)28-2)11-17(13)30(26,27)21-15-5-3-6-16(12-15)29(24,25)22-18-7-4-10-20-18/h3,5-6,8-9,11-12,21H,4,7,10H2,1-2H3,(H,20,22)