N-[1-oxidanylidene-1-(2-piperazin-1-ylquinazolin-4-yl)butan-2-yl]methanesulfonamide

Systemtic Name: N-[1-oxidanylidene-1-(2-piperazin-1-ylquinazolin-4-yl)butan-2-yl]methanesulfonamide Openeye Name: N-[1-(2-piperazin-1-ylquinazoline-4-carbonyl)propyl]methanesulfonamide CAS Name: N-[1-oxo-1-[2-(1-piperazinyl)-4-quinazolinyl]butan-2-yl]methanesulfonamide IUPAC Name: N-[1-oxo-1-(2-piperazin-1-ylquinazolin-4-yl)butan-2-yl]methanesulfonamide Traditional Name: N-[1-(2-piperazinoquinazoline-4-carbonyl)propyl]methanesulfonamide Formula: C17H23N5O3S MolecularWeight: 377.46122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=NC(=NC2=CC=CC=C21)N3CCNCC3)NS(=O)(=O)C

Isomeric SMILES

CCC(C(=O)C1=NC(=NC2=CC=CC=C21)N3CCNCC3)NS(=O)(=O)C

InChI

InChI=1S/C17H23N5O3S/c1-3-13(21-26(2,24)25)16(23)15-12-6-4-5-7-14(12)19-17(20-15)22-10-8-18-9-11-22/h4-7,13,18,21H,3,8-11H2,1-2H3