1-[3-(1-adamantylsulfonyl)propyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine

Systemtic Name: 1-[3-(1-adamantylsulfonyl)propyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine Openeye Name: 1-[3-(1-adamantylsulfonyl)propyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine CAS Name: 1-[3-(1-adamantylsulfonyl)propyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine IUPAC Name: 1-[3-(1-adamantylsulfonyl)propyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine Traditional Name: 1-[3-(1-adamantylsulfonyl)propyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine Formula: C25H36N2O4S MolecularWeight: 460.62934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCS(=O)(=O)C23CC4CC(C2)CC(C4)C3)C5=C6C(=CC=C5)OCCO6

Isomeric SMILES

C1CN(CCN1CCCS(=O)(=O)C23CC4CC(C2)CC(C4)C3)C5=C6C(=CC=C5)OCCO6

InChI

InChI=1S/C25H36N2O4S/c28-32(29,25-16-19-13-20(17-25)15-21(14-19)18-25)12-2-5-26-6-8-27(9-7-26)22-3-1-4-23-24(22)31-11-10-30-23/h1,3-4,19-21H,2,5-18H2