1-[4-(phenylcarbonyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[4-(phenylcarbonyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-(4-benzoylpiperazin-1-yl)-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-(4-benzoyl-1-piperazinyl)-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-(4-benzoylpiperazin-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(4-benzoylpiperazino)-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C25H31N3O4S MolecularWeight: 469.59634

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c29-24(26-17-19-27(20-18-26)25(30)22-7-3-1-4-8-22)14-11-21-9-12-23(13-10-21)33(31,32)28-15-5-2-6-16-28/h1,3-4,7-10,12-13H,2,5-6,11,14-20H2