4-(4-chloranylphenoxy)-3-(cyclopropylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-chloranylphenoxy)-3-(cyclopropylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-chlorophenoxy)-3-(cyclopropylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-chlorophenoxy)-3-(cyclopropylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-chlorophenoxy)-3-(cyclopropylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-chlorophenoxy)-3-(cyclopropylmethylamino)-5-sulfamoyl-benzoic acid Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC1CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN2O5S/c18-12-3-5-13(6-4-12)25-16-14(20-9-10-1-2-10)7-11(17(21)22)8-15(16)26(19,23)24/h3-8,10,20H,1-2,9H2,(H,21,22)(H2,19,23,24)