[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(2R)-2,3-dihydro-1-benzothiophen-2-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(2R)-2,3-dihydro-1-benzothiophen-2-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(2R)-2,3-dihydrobenzothiophen-2-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R)-2,3-dihydro-1-benzothiophen-2-yl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(2R)-2,3-dihydro-1-benzothiophen-2-yl]methanone Traditional Name: [(2R)-2,3-dihydrobenzothiophen-2-yl]-(4-piperonylpiperazino)methanone Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4CC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)[C@H]4CC5=CC=CC=C5S4

InChI

InChI=1S/C21H22N2O3S/c24-21(20-12-16-3-1-2-4-19(16)27-20)23-9-7-22(8-10-23)13-15-5-6-17-18(11-15)26-14-25-17/h1-6,11,20H,7-10,12-14H2/t20-/m1/s1