4-[4-(phenylsulfonyl)piperazin-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-(phenylsulfonyl)piperazin-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-(4-besylpiperazino)-2-(3-pyridyl)quinazoline Formula: C23H21N5O2S MolecularWeight: 431.51014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H21N5O2S/c29-31(30,19-8-2-1-3-9-19)28-15-13-27(14-16-28)23-20-10-4-5-11-21(20)25-22(26-23)18-7-6-12-24-17-18/h1-12,17H,13-16H2