methyl 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-ethylsulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-ethylsulfonyl-amino]ethanoate Openeye Name: methyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-ethylsulfonyl-amino]acetate CAS Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-ethylsulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-ethylsulfonylamino]acetate Traditional Name: 2-[esyl-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]acetic acid methyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)OC)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)OC)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C16H21N3O5S/c1-5-25(22,23)18(11-14(20)24-4)15-12(2)17(3)19(16(15)21)13-9-7-6-8-10-13/h6-10H,5,11H2,1-4H3