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

Systemtic Name: ethyl 2-[5-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-cyano-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-cyano-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[5-[[[(4-chlorophenyl)sulfonylamino]-oxomethyl]amino]-4-cyano-1-phenyl-3-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-cyano-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[5-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-cyano-1-phenyl-pyrazol-3-yl]acetic acid ethyl ester Formula: C21H18ClN5O5S MolecularWeight: 487.91612

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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)Cl)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O5S/c1-2-32-19(28)12-18-17(13-23)20(27(25-18)15-6-4-3-5-7-15)24-21(29)26-33(30,31)16-10-8-14(22)9-11-16/h3-11H,2,12H2,1H3,(H2,24,26,29)