2-chloranyl-4-cyano-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide

Systemtic Name: 2-chloranyl-4-cyano-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide Openeye Name: 2-chloro-4-cyano-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide CAS Name: 2-chloro-4-cyano-N-methyl-N-[2-(4-methyl-1-piperazinyl)-4-quinazolinyl]benzenesulfonamide IUPAC Name: 2-chloro-4-cyano-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide Traditional Name: 2-chloro-4-cyano-N-methyl-N-[2-(4-methylpiperazino)quinazolin-4-yl]benzenesulfonamide Formula: C21H21ClN6O2S MolecularWeight: 456.94844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)N(C)S(=O)(=O)C4=C(C=C(C=C4)C#N)Cl

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)N(C)S(=O)(=O)C4=C(C=C(C=C4)C#N)Cl

InChI

InChI=1S/C21H21ClN6O2S/c1-26-9-11-28(12-10-26)21-24-18-6-4-3-5-16(18)20(25-21)27(2)31(29,30)19-8-7-15(14-23)13-17(19)22/h3-8,13H,9-12H2,1-2H3