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

Systemtic Name: 3-[(3-chloranyl-2-morpholin-4-yl-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[(3-chloro-2-morpholino-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[3-chloro-2-(4-morpholinyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[(3-chloro-2-morpholino-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3)C

InChI

InChI=1S/C19H21ClN2O5S/c1-12-10-14(19(23)24)11-17(13(12)2)28(25,26)21-16-5-3-4-15(20)18(16)22-6-8-27-9-7-22/h3-5,10-11,21H,6-9H2,1-2H3,(H,23,24)