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

Systemtic Name: 2-[1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-N-(phenylmethyl)quinazolin-4-amine Openeye Name: N-benzyl-2-[1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: 2-[1-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]ethyl]-N-(phenylmethyl)-4-quinazolinamine IUPAC Name: N-benzyl-2-[1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Traditional Name: benzyl-[2-[1-(4-brosylpiperazino)ethyl]quinazolin-4-yl]amine Formula: C27H28BrN5O2S MolecularWeight: 566.51252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H28BrN5O2S/c1-20(32-15-17-33(18-16-32)36(34,35)23-13-11-22(28)12-14-23)26-30-25-10-6-5-9-24(25)27(31-26)29-19-21-7-3-2-4-8-21/h2-14,20H,15-19H2,1H3,(H,29,30,31)