3-[4-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(4-methyl-3-morpholinosulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(4-methyl-3-morpholinosulfonyl-phenyl)sulfamoyl]phenyl]propionic acid Formula: C20H24N2O7S2 MolecularWeight: 468.54376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H24N2O7S2/c1-15-2-6-17(14-19(15)31(27,28)22-10-12-29-13-11-22)21-30(25,26)18-7-3-16(4-8-18)5-9-20(23)24/h2-4,6-8,14,21H,5,9-13H2,1H3,(H,23,24)