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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H27N3O7S2/c1-2-3-9-22-19-8-7-18(33(29,30)24-10-12-31-13-11-24)15-20(19)23-32(27,28)17-6-4-5-16(14-17)21(25)26/h4-8,14-15,22-23H,2-3,9-13H2,1H3,(H,25,26)