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

Systemtic Name: 1-[[4-(6-bromanylnaphthalen-2-yl)sulfonyl-1-pyridin-4-yl-piperidin-4-yl]methyl]piperazin-2-one Openeye Name: 1-[[4-[(6-bromo-2-naphthyl)sulfonyl]-1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one CAS Name: 1-[[4-[(6-bromo-2-naphthalenyl)sulfonyl]-1-pyridin-4-yl-4-piperidinyl]methyl]-2-piperazinone IUPAC Name: 1-[[4-(6-bromonaphthalen-2-yl)sulfonyl-1-pyridin-4-ylpiperidin-4-yl]methyl]piperazin-2-one Traditional Name: 1-[[4-[(6-bromo-2-naphthyl)sulfonyl]-1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one Formula: C25H27BrN4O3S MolecularWeight: 543.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CN2CCNCC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1(CN2CCNCC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br)C5=CC=NC=C5

InChI

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