4-cyano-3-(3-fluoranyl-4-methoxy-phenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide

Systemtic Name: 4-cyano-3-(3-fluoranyl-4-methoxy-phenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide Openeye Name: 4-cyano-3-(3-fluoro-4-methoxy-phenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide CAS Name: 4-cyano-3-(3-fluoro-4-methoxyphenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide IUPAC Name: 4-cyano-3-(3-fluoro-4-methoxyphenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide Traditional Name: 4-cyano-3-(3-fluoro-4-methoxy-phenyl)-6-phenethyl-2-(1H-pyrazol-5-yl)benzenesulfonamide Formula: C25H21FN4O3S MolecularWeight: 476.522643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=C(C=C2C#N)CCC3=CC=CC=C3)S(=O)(=O)N)C4=CC=NN4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=C(C=C2C#N)CCC3=CC=CC=C3)S(=O)(=O)N)C4=CC=NN4)F

InChI

InChI=1S/C25H21FN4O3S/c1-33-22-10-9-17(14-20(22)26)23-19(15-27)13-18(8-7-16-5-3-2-4-6-16)25(34(28,31)32)24(23)21-11-12-29-30-21/h2-6,9-14H,7-8H2,1H3,(H,29,30)(H2,28,31,32)