2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-(4-methylphenyl)amino]propanoic acid

Systemtic Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-(4-methylphenyl)amino]propanoic acid Openeye Name: 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-anilino]propanoic acid CAS Name: 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]propanoic acid IUPAC Name: 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]propanoic acid Traditional Name: 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-anilino]propionic acid Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(C)C(=O)O)S(=O)(=O)C2=C(NN=C2C)C

Isomeric SMILES

CC1=CC=C(C=C1)N(C(C)C(=O)O)S(=O)(=O)C2=C(NN=C2C)C

InChI

InChI=1S/C15H19N3O4S/c1-9-5-7-13(8-6-9)18(12(4)15(19)20)23(21,22)14-10(2)16-17-11(14)3/h5-8,12H,1-4H3,(H,16,17)(H,19,20)