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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H27N3O7S2/c1-15(2)14-22-19-7-6-18(33(29,30)24-8-10-31-11-9-24)13-20(19)23-32(27,28)17-5-3-4-16(12-17)21(25)26/h3-7,12-13,15,22-23H,8-11,14H2,1-2H3,(H,25,26)