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

Systemtic Name: 4-(3-ethynylphenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Openeye Name: 4-(3-ethynylphenyl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride CAS Name: 4-(3-ethynylphenyl)sulfonyl-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinone hydrochloride IUPAC Name: 4-(3-ethynylphenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Traditional Name: 4-(3-ethynylphenyl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)S(=O)(=O)N2CCN(C(=O)C2)CC3CCN(CC3)C4=CC=NC=C4.Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)S(=O)(=O)N2CCN(C(=O)C2)CC3CCN(CC3)C4=CC=NC=C4.Cl

InChI

InChI=1S/C23H26N4O3S.ClH/c1-2-19-4-3-5-22(16-19)31(29,30)27-15-14-26(23(28)18-27)17-20-8-12-25(13-9-20)21-6-10-24-11-7-21;/h1,3-7,10-11,16,20H,8-9,12-15,17-18H2;1H