N-(3-bromophenyl)-6-[4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(3-bromophenyl)-6-[4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-(3-bromophenyl)pyrimidin-4-amine CAS Name: 6-[4-[2-(benzenesulfonyl)ethyl]-1-piperazinyl]-N-(3-bromophenyl)-4-pyrimidinamine IUPAC Name: 6-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-(3-bromophenyl)pyrimidin-4-amine Traditional Name: [6-[4-(2-besylethyl)piperazino]pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C22H24BrN5O2S MolecularWeight: 502.42726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)C2=CC=CC=C2)C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)C2=CC=CC=C2)C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H24BrN5O2S/c23-18-5-4-6-19(15-18)26-21-16-22(25-17-24-21)28-11-9-27(10-12-28)13-14-31(29,30)20-7-2-1-3-8-20/h1-8,15-17H,9-14H2,(H,24,25,26)