4-chloranyl-3-sulfamoyl-benzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol

Systemtic Name: 4-chloranyl-3-sulfamoyl-benzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol Openeye Name: 4-chloro-3-sulfamoyl-benzoic acid; 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol CAS Name: 4-chloro-3-sulfamoylbenzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol IUPAC Name: 4-chloro-3-sulfamoylbenzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid; 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol Formula: C19H22ClF3N2O5S MolecularWeight: 482.90159

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)C(F)(F)F)NCCO.C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

CC(CC1=CC(=CC=C1)C(F)(F)F)NCCO.C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C12H16F3NO.C7H6ClNO4S/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15;8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h2-4,8-9,16-17H,5-7H2,1H3;1-3H,(H,10,11)(H2,9,12,13)