4-naphthalen-2-ylsulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one

Systemtic Name: 4-naphthalen-2-ylsulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Openeye Name: 4-(2-naphthylsulfonyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one CAS Name: 4-(2-naphthalenylsulfonyl)-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinone IUPAC Name: 4-naphthalen-2-ylsulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Traditional Name: 4-(2-naphthylsulfonyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=NC=C5

InChI

InChI=1S/C25H28N4O3S/c30-25-19-29(33(31,32)24-6-5-21-3-1-2-4-22(21)17-24)16-15-28(25)18-20-9-13-27(14-10-20)23-7-11-26-12-8-23/h1-8,11-12,17,20H,9-10,13-16,18-19H2