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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O3S.ClH/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;1H