1-[4-[(2S)-2-oxidanyl-3-(4-piperidin-1-ylsulfonylpiperazin-1-yl)propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[(2S)-2-oxidanyl-3-(4-piperidin-1-ylsulfonylpiperazin-1-yl)propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2S)-2-hydroxy-3-[4-(1-piperidylsulfonyl)piperazin-1-yl]propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2S)-2-hydroxy-3-[4-(1-piperidinylsulfonyl)-1-piperazinyl]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-(4-piperidin-1-ylsulfonylpiperazin-1-yl)propoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(4-piperidinosulfonylpiperazino)propoxy]phenyl]propan-1-one Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)N3CCCCC3)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@H](CN2CCN(CC2)S(=O)(=O)N3CCCCC3)O

InChI

InChI=1S/C21H33N3O5S/c1-2-21(26)18-6-8-20(9-7-18)29-17-19(25)16-22-12-14-24(15-13-22)30(27,28)23-10-4-3-5-11-23/h6-9,19,25H,2-5,10-17H2,1H3/t19-/m0/s1