3-(4-piperidin-1-ylsulfonylphenyl)-1-(4-pyridin-2-ylcarbonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-piperidin-1-ylsulfonylphenyl)-1-(4-pyridin-2-ylcarbonylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-(1-piperidylsulfonyl)phenyl]-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 3-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 1-(4-picolinoylpiperazino)-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CC=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C24H30N4O4S/c29-23(26-16-18-27(19-17-26)24(30)22-6-2-3-13-25-22)12-9-20-7-10-21(11-8-20)33(31,32)28-14-4-1-5-15-28/h2-3,6-8,10-11,13H,1,4-5,9,12,14-19H2