4-[(5-chloranyl-1-benzofuran-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride

Systemtic Name: 4-[(5-chloranyl-1-benzofuran-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Openeye Name: 4-(5-chlorobenzofuran-2-yl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride CAS Name: 4-[(5-chloro-2-benzofuranyl)sulfonyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinone hydrochloride IUPAC Name: 4-[(5-chloro-1-benzofuran-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Traditional Name: 4-(5-chlorobenzofuran-2-yl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride Formula: C23H26Cl2N4O4S MolecularWeight: 525.44794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(O3)C=CC(=C4)Cl)C5=CC=NC=C5.Cl

Isomeric SMILES

C1CN(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(O3)C=CC(=C4)Cl)C5=CC=NC=C5.Cl

InChI

InChI=1S/C23H25ClN4O4S.ClH/c24-19-1-2-21-18(13-19)14-23(32-21)33(30,31)28-12-11-27(22(29)16-28)15-17-5-9-26(10-6-17)20-3-7-25-8-4-20;/h1-4,7-8,13-14,17H,5-6,9-12,15-16H2;1H