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

Systemtic Name: 2-[1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(phenylmethyl)quinazolin-4-amine Openeye Name: N-benzyl-2-[1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: 2-[1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl]-N-(phenylmethyl)-4-quinazolinamine IUPAC Name: N-benzyl-2-[1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Traditional Name: benzyl-[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)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O2S/c1-21-12-14-24(15-13-21)36(34,35)33-18-16-32(17-19-33)22(2)27-30-26-11-7-6-10-25(26)28(31-27)29-20-23-8-4-3-5-9-23/h3-15,22H,16-20H2,1-2H3,(H,29,30,31)