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

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

Isomeric SMILES

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

InChI

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