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

Systemtic Name: 3-[[2-(ethylamino)-5-morpholin-4-ylsulfonyl-phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[2-(ethylamino)-5-morpholinosulfonyl-phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[2-(ethylamino)-5-(4-morpholinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-(ethylamino)-5-morpholinosulfonyl-phenyl]sulfamoyl]benzoic acid Formula: C19H23N3O7S2 MolecularWeight: 469.53182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O7S2/c1-2-20-17-7-6-16(31(27,28)22-8-10-29-11-9-22)13-18(17)21-30(25,26)15-5-3-4-14(12-15)19(23)24/h3-7,12-13,20-21H,2,8-11H2,1H3,(H,23,24)