2-[1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenyl-quinazolin-4-amine

Systemtic Name: 2-[1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenyl-quinazolin-4-amine Openeye Name: N-phenyl-2-[1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: 2-[1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl]-N-phenyl-4-quinazolinamine IUPAC Name: 2-[1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenylquinazolin-4-amine Traditional Name: phenyl-[2-[1-(4-tosylpiperazino)ethyl]quinazolin-4-yl]amine Formula: C27H29N5O2S MolecularWeight: 487.61646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2S/c1-20-12-14-23(15-13-20)35(33,34)32-18-16-31(17-19-32)21(2)26-29-25-11-7-6-10-24(25)27(30-26)28-22-8-4-3-5-9-22/h3-15,21H,16-19H2,1-2H3,(H,28,29,30)