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

Systemtic Name: 3-[[4-[[3-(diethylsulfamoyl)-4-methyl-phenyl]carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[3-(diethylsulfamoyl)-4-methyl-benzoyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[[3-(diethylsulfamoyl)-4-methylphenyl]-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[3-(diethylsulfamoyl)-4-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=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O7S2/c1-4-24(5-2)33(30,31)19-14-16(7-6-15(19)3)21(27)23-17-8-10-18(11-9-17)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)