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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3S/c29-25(27-19-17-26(18-20-27)21-23-7-3-1-4-8-23)14-11-22-9-12-24(13-10-22)32(30,31)28-15-5-2-6-16-28/h1,3-4,7-10,12-13H,2,5-6,11,14-21H2