3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C24H32N4O3S MolecularWeight: 456.60088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H32N4O3S/c29-24(27-19-17-26(18-20-27)23-7-3-4-14-25-23)13-10-21-8-11-22(12-9-21)32(30,31)28-15-5-1-2-6-16-28/h3-4,7-9,11-12,14H,1-2,5-6,10,13,15-20H2