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

Systemtic Name: 2-[4-cyano-5-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenyl-pyrazol-3-yl]ethanoic acid Openeye Name: 2-[4-cyano-1-phenyl-5-(p-tolylsulfonylcarbamoylamino)pyrazol-3-yl]acetic acid CAS Name: 2-[4-cyano-5-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-1-phenyl-3-pyrazolyl]acetic acid IUPAC Name: 2-[4-cyano-5-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenylpyrazol-3-yl]acetic acid Traditional Name: 2-[4-cyano-1-phenyl-5-(tosylcarbamoylamino)pyrazol-3-yl]acetic acid Formula: C20H17N5O5S MolecularWeight: 439.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)CC(=O)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)CC(=O)O)C#N

InChI

InChI=1S/C20H17N5O5S/c1-13-7-9-15(10-8-13)31(29,30)24-20(28)22-19-16(12-21)17(11-18(26)27)23-25(19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,26,27)(H2,22,24,28)