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

Systemtic Name: 3-[[2-(ethylamino)-5-morpholin-4-ylsulfonyl-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[2-(ethylamino)-5-morpholinosulfonyl-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[2-(ethylamino)-5-(4-morpholinylsulfonyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[2-(ethylamino)-5-morpholinosulfonyl-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C21H27N3O7S2 MolecularWeight: 497.58498

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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(=CC(=C3C)C)C(=O)O

Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC(=CC(=C3C)C)C(=O)O

InChI

InChI=1S/C21H27N3O7S2/c1-4-22-18-6-5-17(33(29,30)24-7-9-31-10-8-24)13-19(18)23-32(27,28)20-12-16(21(25)26)11-14(2)15(20)3/h5-6,11-13,22-23H,4,7-10H2,1-3H3,(H,25,26)