2-[(4-cyano-5-phenyl-1H-pyrazol-3-yl)-(5-methylsulfonylpyridin-2-yl)amino]ethanoic acid

Systemtic Name: 2-[(4-cyano-5-phenyl-1H-pyrazol-3-yl)-(5-methylsulfonylpyridin-2-yl)amino]ethanoic acid Openeye Name: 2-[(4-cyano-5-phenyl-1H-pyrazol-3-yl)-(5-methylsulfonyl-2-pyridyl)amino]acetic acid CAS Name: 2-[(4-cyano-5-phenyl-1H-pyrazol-3-yl)-(5-methylsulfonyl-2-pyridinyl)amino]acetic acid IUPAC Name: 2-[(4-cyano-5-phenyl-1H-pyrazol-3-yl)-(5-methylsulfonylpyridin-2-yl)amino]acetic acid Traditional Name: 2-[(4-cyano-5-phenyl-1H-pyrazol-3-yl)-(5-mesyl-2-pyridyl)amino]acetic acid Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N(CC(=O)O)C2=NNC(=C2C#N)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N(CC(=O)O)C2=NNC(=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H15N5O4S/c1-28(26,27)13-7-8-15(20-10-13)23(11-16(24)25)18-14(9-19)17(21-22-18)12-5-3-2-4-6-12/h2-8,10H,11H2,1H3,(H,21,22)(H,24,25)