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

Systemtic Name: 4-(3-phenylphenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Openeye Name: 4-(3-phenylphenyl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride CAS Name: 4-(3-phenylphenyl)sulfonyl-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinone hydrochloride IUPAC Name: 4-(3-phenylphenyl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Traditional Name: 4-(3-phenylphenyl)sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride Formula: C27H31ClN4O3S MolecularWeight: 527.07804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3S.ClH/c32-27-21-31(35(33,34)26-8-4-7-24(19-26)23-5-2-1-3-6-23)18-17-30(27)20-22-11-15-29(16-12-22)25-9-13-28-14-10-25;/h1-10,13-14,19,22H,11-12,15-18,20-21H2;1H