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

Systemtic Name: 4-(4-iodophenyl)sulfonyl-1-[piperidin-4-yl(pyridin-4-yl)methyl]piperazin-2-one hydrochloride Openeye Name: 4-(4-iodophenyl)sulfonyl-1-[4-piperidyl(4-pyridyl)methyl]piperazin-2-one hydrochloride CAS Name: 4-(4-iodophenyl)sulfonyl-1-[4-piperidinyl(pyridin-4-yl)methyl]-2-piperazinone hydrochloride IUPAC Name: 4-(4-iodophenyl)sulfonyl-1-[piperidin-4-yl(pyridin-4-yl)methyl]piperazin-2-one hydrochloride Traditional Name: 4-(4-iodophenyl)sulfonyl-1-[4-piperidyl(4-pyridyl)methyl]piperazin-2-one hydrochloride Formula: C21H26ClIN4O3S MolecularWeight: 576.87861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25IN4O3S.ClH/c22-18-1-3-19(4-2-18)30(28,29)25-13-14-26(20(27)15-25)21(16-5-9-23-10-6-16)17-7-11-24-12-8-17;/h1-6,9-10,17,21,24H,7-8,11-15H2;1H