4-chloranyl-3-[[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)carbonylamino]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)carbonylamino]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)amino]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[[(2,5-dimethyl-1-phenyl-3-pyrrolyl)-oxomethyl]amino]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)amino]sulfamoyl]benzoic acid Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NNS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NNS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C20H18ClN3O5S/c1-12-10-16(13(2)24(12)15-6-4-3-5-7-15)19(25)22-23-30(28,29)18-11-14(20(26)27)8-9-17(18)21/h3-11,23H,1-2H3,(H,22,25)(H,26,27)