2-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline

Systemtic Name: 2-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline Openeye Name: 2-ethyl-4-[4-(p-tolylsulfonyl)piperazin-1-yl]quinazoline CAS Name: 2-ethyl-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]quinazoline IUPAC Name: 2-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline Traditional Name: 2-ethyl-4-(4-tosylpiperazino)quinazoline Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=N1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=N1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H24N4O2S/c1-3-20-22-19-7-5-4-6-18(19)21(23-20)24-12-14-25(15-13-24)28(26,27)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3