2-[1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-one CAS Name: 2-[1-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]ethyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[1-(4-brosylpiperazino)ethyl]quinazolin-4-one Formula: C27H27BrN4O3S MolecularWeight: 567.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H27BrN4O3S/c1-20(30-15-17-31(18-16-30)36(34,35)23-13-11-22(28)12-14-23)26-29-25-10-6-5-9-24(25)27(33)32(26)19-21-7-3-2-4-8-21/h2-14,20H,15-19H2,1H3