3-[[2-(ethylamino)-5-morpholin-4-ylsulfonyl-phenyl]sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-(ethylamino)-5-morpholin-4-ylsulfonyl-phenyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[2-(ethylamino)-5-morpholinosulfonyl-phenyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[2-(ethylamino)-5-(4-morpholinylsulfonyl)phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[2-(ethylamino)-5-morpholinosulfonyl-phenyl]sulfamoyl]-4-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=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

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

InChI

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