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

Systemtic Name: 3-[[4-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[5-(dimethylsulfamoyl)-2-methyl-benzoyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[[5-(dimethylsulfamoyl)-2-methylphenyl]-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[5-(dimethylsulfamoyl)-2-methylbenzoyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[5-(dimethylsulfamoyl)-2-methyl-benzoyl]amino]phenyl]sulfonylamino]propionic acid Formula: C19H23N3O7S2 MolecularWeight: 469.53182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C19H23N3O7S2/c1-13-4-7-16(31(28,29)22(2)3)12-17(13)19(25)21-14-5-8-15(9-6-14)30(26,27)20-11-10-18(23)24/h4-9,12,20H,10-11H2,1-3H3,(H,21,25)(H,23,24)