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

Systemtic Name: 3-[3-(3-chlorophenyl)phenyl]sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Openeye Name: 3-[3-(3-chlorophenyl)phenyl]sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one CAS Name: 3-[3-(3-chlorophenyl)phenyl]sulfonyl-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinone IUPAC Name: 3-[3-(3-chlorophenyl)phenyl]sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Traditional Name: 3-[3-(3-chlorophenyl)phenyl]sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one Formula: C27H29ClN4O3S MolecularWeight: 525.06216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCNC(C2=O)S(=O)(=O)C3=CC=CC(=C3)C4=CC(=CC=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CN2CCNC(C2=O)S(=O)(=O)C3=CC=CC(=C3)C4=CC(=CC=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C27H29ClN4O3S/c28-23-5-1-3-21(17-23)22-4-2-6-25(18-22)36(34,35)26-27(33)32(16-13-30-26)19-20-9-14-31(15-10-20)24-7-11-29-12-8-24/h1-8,11-12,17-18,20,26,30H,9-10,13-16,19H2