4-(6-bromanylnaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride

Systemtic Name: 4-(6-bromanylnaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Openeye Name: 4-[(6-bromo-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride CAS Name: 4-[(6-bromo-2-naphthalenyl)sulfonyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinone hydrochloride IUPAC Name: 4-(6-bromonaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Traditional Name: 4-[(6-bromo-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one hydrochloride Formula: C25H28BrClN4O3S MolecularWeight: 579.93682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br)C5=CC=NC=C5.Cl

Isomeric SMILES

C1CN(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br)C5=CC=NC=C5.Cl

InChI

InChI=1S/C25H27BrN4O3S.ClH/c26-22-3-1-21-16-24(4-2-20(21)15-22)34(32,33)30-14-13-29(25(31)18-30)17-19-7-11-28(12-8-19)23-5-9-27-10-6-23;/h1-6,9-10,15-16,19H,7-8,11-14,17-18H2;1H