N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CCN1C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C25H33N3O6S/c29-23(16-26-24(30)25-13-17-9-18(14-25)11-19(10-17)15-25)27-3-5-28(6-4-27)35(31,32)20-1-2-21-22(12-20)34-8-7-33-21/h1-2,12,17-19H,3-11,13-16H2,(H,26,30)