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

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

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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=C5C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5C

InChI

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