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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(C(C1)S(=O)(=O)C23CC4CC(C2)CC(C4)C3)C5=C6C(=CC=C5)OCCO6

Isomeric SMILES

CCCN1CCN(C(C1)S(=O)(=O)C23CC4CC(C2)CC(C4)C3)C5=C6C(=CC=C5)OCCO6

InChI

InChI=1S/C25H36N2O4S/c1-2-6-26-7-8-27(21-4-3-5-22-24(21)31-10-9-30-22)23(17-26)32(28,29)25-14-18-11-19(15-25)13-20(12-18)16-25/h3-5,18-20,23H,2,6-17H2,1H3