ethyl 2-[4-cyano-5-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenyl-pyrazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-cyano-5-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-cyano-1-phenyl-5-(p-tolylsulfonylcarbamoylamino)pyrazol-3-yl]acetate CAS Name: 2-[4-cyano-5-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-1-phenyl-3-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyano-5-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[4-cyano-1-phenyl-5-(tosylcarbamoylamino)pyrazol-3-yl]acetic acid ethyl ester Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=C1C#N)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=NN(C(=C1C#N)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H21N5O5S/c1-3-32-20(28)13-19-18(14-23)21(27(25-19)16-7-5-4-6-8-16)24-22(29)26-33(30,31)17-11-9-15(2)10-12-17/h4-12H,3,13H2,1-2H3,(H2,24,26,29)