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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)CC5=CC=CC=C5

InChI

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