N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-3,4-dimethoxy-benzenesulfonamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C#N)OC

InChI

InChI=1S/C21H17N5O4S/c1-29-18-9-8-16(11-19(18)30-2)31(27,28)25-21-15(12-22)13-23-26(21)20-10-7-14-5-3-4-6-17(14)24-20/h3-11,13,25H,1-2H3