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

Systemtic Name: 4-chloranyl-3-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[(2,5-diethoxy-4-morpholino-phenyl)sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[2,5-diethoxy-4-(4-morpholinyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[(2,5-diethoxy-4-morpholino-phenyl)sulfamoyl]benzoic acid Formula: C21H25ClN2O7S MolecularWeight: 484.9504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C21H25ClN2O7S/c1-3-30-18-13-17(24-7-9-29-10-8-24)19(31-4-2)12-16(18)23-32(27,28)20-11-14(21(25)26)5-6-15(20)22/h5-6,11-13,23H,3-4,7-10H2,1-2H3,(H,25,26)