[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(piperidin-1-ylsulfonylmethyl)phenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(piperidin-1-ylsulfonylmethyl)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(1-piperidylsulfonylmethyl)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[4-(1-piperidinylsulfonylmethyl)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(piperidin-1-ylsulfonylmethyl)phenyl]methanone Traditional Name: [4-(piperidinosulfonylmethyl)phenyl]-(4-piperonylpiperazino)methanone Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H31N3O5S/c29-25(22-7-4-20(5-8-22)18-34(30,31)28-10-2-1-3-11-28)27-14-12-26(13-15-27)17-21-6-9-23-24(16-21)33-19-32-23/h4-9,16H,1-3,10-15,17-19H2