2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]acetic acid CAS Name: 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]acetic acid IUPAC Name: 2-[benzenesulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]acetic acid Traditional Name: 2-[besyl-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]acetic acid Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O5S/c1-14-18(19(25)22(20(14)2)15-9-5-3-6-10-15)21(13-17(23)24)28(26,27)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3,(H,23,24)