4-chloranyl-N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-chloro-N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolinyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[4-cyano-2-(8-methoxy-4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]benzenesulfonamide Formula: C21H16ClN5O3S MolecularWeight: 453.90144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN5O3S/c1-13-10-19(25-20-17(13)4-3-5-18(20)30-2)27-21(14(11-23)12-24-27)26-31(28,29)16-8-6-15(22)7-9-16/h3-10,12,26H,1-2H3