3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-4-(trichloromethyl)benzoic acid

Systemtic Name: 3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-4-(trichloromethyl)benzoic acid Openeye Name: 3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-4-(trichloromethyl)benzoic acid CAS Name: 3-(3-methyl-1-pyrrolidinyl)-5-sulfamoyl-4-(trichloromethyl)benzoic acid IUPAC Name: 3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-4-(trichloromethyl)benzoic acid Traditional Name: 3-(3-methylpyrrolidino)-5-sulfamoyl-4-(trichloromethyl)benzoic acid Formula: C13H15Cl3N2O4S MolecularWeight: 401.6932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C(Cl)(Cl)Cl

Isomeric SMILES

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C(Cl)(Cl)Cl

InChI

InChI=1S/C13H15Cl3N2O4S/c1-7-2-3-18(6-7)9-4-8(12(19)20)5-10(23(17,21)22)11(9)13(14,15)16/h4-5,7H,2-3,6H2,1H3,(H,19,20)(H2,17,21,22)