5-[[2-(ethylamino)-5-morpholin-4-ylsulfonyl-phenyl]sulfamoyl]-2-methyl-benzoic acid

Systemtic Name: 5-[[2-(ethylamino)-5-morpholin-4-ylsulfonyl-phenyl]sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[[2-(ethylamino)-5-morpholinosulfonyl-phenyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[[2-(ethylamino)-5-(4-morpholinylsulfonyl)phenyl]sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[[2-(ethylamino)-5-morpholinosulfonyl-phenyl]sulfamoyl]-2-methyl-benzoic acid Formula: C20H25N3O7S2 MolecularWeight: 483.5584

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O

Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O

InChI

InChI=1S/C20H25N3O7S2/c1-3-21-18-7-6-16(32(28,29)23-8-10-30-11-9-23)13-19(18)22-31(26,27)15-5-4-14(2)17(12-15)20(24)25/h4-7,12-13,21-22H,3,8-11H2,1-2H3,(H,24,25)