N-[3-[4-(piperidin-4-ylamino)quinazolin-6-yl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[4-(piperidin-4-ylamino)quinazolin-6-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[4-(4-piperidylamino)quinazolin-6-yl]phenyl]methanesulfonamide CAS Name: N-[3-[4-(4-piperidinylamino)-6-quinazolinyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-(piperidin-4-ylamino)quinazolin-6-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-(4-piperidylamino)quinazolin-6-yl]phenyl]methanesulfonamide Formula: C20H23N5O2S MolecularWeight: 397.49392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4CCNCC4

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4CCNCC4

InChI

InChI=1S/C20H23N5O2S/c1-28(26,27)25-17-4-2-3-14(11-17)15-5-6-19-18(12-15)20(23-13-22-19)24-16-7-9-21-10-8-16/h2-6,11-13,16,21,25H,7-10H2,1H3,(H,22,23,24)