[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(phenylmethyl)sulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(phenylmethyl)sulfonylpiperidin-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-benzylsulfonyl-3-piperidyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(phenylmethyl)sulfonyl-3-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-benzylsulfonylpiperidin-3-yl)methanone Traditional Name: (1-benzylsulfonyl-3-piperidyl)-(4-piperonylpiperazino)methanone Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H31N3O5S/c29-25(22-7-4-10-28(17-22)34(30,31)18-20-5-2-1-3-6-20)27-13-11-26(12-14-27)16-21-8-9-23-24(15-21)33-19-32-23/h1-3,5-6,8-9,15,22H,4,7,10-14,16-19H2