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

Systemtic Name: 4-chloranyl-3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]benzoic acid CAS Name: 4-chloro-3-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethylsulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethylsulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]benzoic acid Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4S/c1-14-12-16(15(2)24(14)18-6-4-3-5-7-18)10-11-23-29(27,28)20-13-17(21(25)26)8-9-19(20)22/h3-9,12-13,23H,10-11H2,1-2H3,(H,25,26)