N-methyl-N-(2-piperazin-1-ylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

Systemtic Name: N-methyl-N-(2-piperazin-1-ylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide Openeye Name: N-methyl-N-(2-piperazin-1-ylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide CAS Name: N-methyl-N-[2-(1-piperazinyl)-4-quinazolinyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide IUPAC Name: N-methyl-N-(2-piperazin-1-ylquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide Traditional Name: N-methyl-N-(2-piperazinoquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC(=NC2=CC=CC=C21)N3CCNCC3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN(C1=NC(=NC2=CC=CC=C21)N3CCNCC3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H26N6O2S/c1-26(31(29,30)28-13-10-17-6-2-3-7-18(17)16-28)21-19-8-4-5-9-20(19)24-22(25-21)27-14-11-23-12-15-27/h2-9,23H,10-16H2,1H3