2-chloranyl-4-cyano-N-methyl-N-(2-piperazin-1-ylquinazolin-4-yl)benzenesulfonamide

Systemtic Name: 2-chloranyl-4-cyano-N-methyl-N-(2-piperazin-1-ylquinazolin-4-yl)benzenesulfonamide Openeye Name: 2-chloro-4-cyano-N-methyl-N-(2-piperazin-1-ylquinazolin-4-yl)benzenesulfonamide CAS Name: 2-chloro-4-cyano-N-methyl-N-[2-(1-piperazinyl)-4-quinazolinyl]benzenesulfonamide IUPAC Name: 2-chloro-4-cyano-N-methyl-N-(2-piperazin-1-ylquinazolin-4-yl)benzenesulfonamide Traditional Name: 2-chloro-4-cyano-N-methyl-N-(2-piperazinoquinazolin-4-yl)benzenesulfonamide Formula: C20H19ClN6O2S MolecularWeight: 442.92186

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC(=NC2=CC=CC=C21)N3CCNCC3)S(=O)(=O)C4=C(C=C(C=C4)C#N)Cl

Isomeric SMILES

CN(C1=NC(=NC2=CC=CC=C21)N3CCNCC3)S(=O)(=O)C4=C(C=C(C=C4)C#N)Cl

InChI

InChI=1S/C20H19ClN6O2S/c1-26(30(28,29)18-7-6-14(13-22)12-16(18)21)19-15-4-2-3-5-17(15)24-20(25-19)27-10-8-23-9-11-27/h2-7,12,23H,8-11H2,1H3