4-[1-(cyanomethyl)-4-(3-fluoranyl-4-methoxy-phenyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[1-(cyanomethyl)-4-(3-fluoranyl-4-methoxy-phenyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[1-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[1-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[1-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[1-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)pyrazol-3-yl]benzenesulfonamide Formula: C18H15FN4O3S MolecularWeight: 386.400103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)F

InChI

InChI=1S/C18H15FN4O3S/c1-26-17-7-4-13(10-16(17)19)15-11-23(9-8-20)22-18(15)12-2-5-14(6-3-12)27(21,24)25/h2-7,10-11H,9H2,1H3,(H2,21,24,25)