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

Systemtic Name: 4-(3-bromophenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Openeye Name: 4-(3-bromophenyl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride CAS Name: 4-(3-bromophenyl)sulfonyl-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinone hydrochloride IUPAC Name: 4-(3-bromophenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Traditional Name: 4-(3-bromophenyl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride Formula: C21H26BrClN4O3S MolecularWeight: 529.87814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC(=CC=C3)Br)C4=CC=NC=C4.Cl

Isomeric SMILES

C1CN(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC(=CC=C3)Br)C4=CC=NC=C4.Cl

InChI

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