4-(3-bromophenyl)sulfonyl-1-[piperidin-4-yl(pyridin-4-yl)methyl]piperazin-2-one

Systemtic Name: 4-(3-bromophenyl)sulfonyl-1-[piperidin-4-yl(pyridin-4-yl)methyl]piperazin-2-one Openeye Name: 4-(3-bromophenyl)sulfonyl-1-[4-piperidyl(4-pyridyl)methyl]piperazin-2-one CAS Name: 4-(3-bromophenyl)sulfonyl-1-[4-piperidinyl(pyridin-4-yl)methyl]-2-piperazinone IUPAC Name: 4-(3-bromophenyl)sulfonyl-1-[piperidin-4-yl(pyridin-4-yl)methyl]piperazin-2-one Traditional Name: 4-(3-bromophenyl)sulfonyl-1-[4-piperidyl(4-pyridyl)methyl]piperazin-2-one Formula: C21H25BrN4O3S MolecularWeight: 493.4172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C2=CC=NC=C2)N3CCN(CC3=O)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CNCCC1C(C2=CC=NC=C2)N3CCN(CC3=O)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H25BrN4O3S/c22-18-2-1-3-19(14-18)30(28,29)25-12-13-26(20(27)15-25)21(16-4-8-23-9-5-16)17-6-10-24-11-7-17/h1-5,8-9,14,17,21,24H,6-7,10-13,15H2