3-[[4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[5-(diethylsulfamoyl)-2-methyl-benzoyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[[5-(diethylsulfamoyl)-2-methylphenyl]-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[5-(diethylsulfamoyl)-2-methyl-benzoyl]amino]phenyl]sulfonylamino]propionic acid Formula: C21H27N3O7S2 MolecularWeight: 497.58498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C21H27N3O7S2/c1-4-24(5-2)33(30,31)18-9-6-15(3)19(14-18)21(27)23-16-7-10-17(11-8-16)32(28,29)22-13-12-20(25)26/h6-11,14,22H,4-5,12-13H2,1-3H3,(H,23,27)(H,25,26)