(E)-3-[3-(diethylsulfamoyl)-4-methyl-phenyl]but-2-enoic acid

Systemtic Name: (E)-3-[3-(diethylsulfamoyl)-4-methyl-phenyl]but-2-enoic acid Openeye Name: (E)-3-[3-(diethylsulfamoyl)-4-methyl-phenyl]but-2-enoic acid CAS Name: (E)-3-[3-(diethylsulfamoyl)-4-methylphenyl]-2-butenoic acid IUPAC Name: (E)-3-[3-(diethylsulfamoyl)-4-methylphenyl]but-2-enoic acid Traditional Name: (E)-3-[3-(diethylsulfamoyl)-4-methyl-phenyl]but-2-enoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=CC(=O)O)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)/C(=C/C(=O)O)/C)C

InChI

InChI=1S/C15H21NO4S/c1-5-16(6-2)21(19,20)14-10-13(8-7-11(14)3)12(4)9-15(17)18/h7-10H,5-6H2,1-4H3,(H,17,18)/b12-9+