N-(3-methylphenyl)-2-[1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine

Systemtic Name: N-(3-methylphenyl)-2-[1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Openeye Name: N-(m-tolyl)-2-[1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: N-(3-methylphenyl)-2-[1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl]-4-quinazolinamine IUPAC Name: N-(3-methylphenyl)-2-[1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Traditional Name: m-tolyl-[2-[1-(4-tosylpiperazino)ethyl]quinazolin-4-yl]amine Formula: C28H31N5O2S MolecularWeight: 501.64304

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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O2S/c1-20-11-13-24(14-12-20)36(34,35)33-17-15-32(16-18-33)22(3)27-30-26-10-5-4-9-25(26)28(31-27)29-23-8-6-7-21(2)19-23/h4-14,19,22H,15-18H2,1-3H3,(H,29,30,31)