[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-[3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-(3-piperidinosulfonylphenyl)methanone Formula: C20H24BrN5O3S MolecularWeight: 494.40526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br

InChI

InChI=1S/C20H24BrN5O3S/c21-17-14-22-20(23-15-17)25-11-9-24(10-12-25)19(27)16-5-4-6-18(13-16)30(28,29)26-7-2-1-3-8-26/h4-6,13-15H,1-3,7-12H2