N-(1-adamantylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CCC1C(=O)NCC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C25H34N2O5S/c28-24(26-16-25-13-17-9-18(14-25)11-19(10-17)15-25)20-3-5-27(6-4-20)33(29,30)21-1-2-22-23(12-21)32-8-7-31-22/h1-2,12,17-20H,3-11,13-16H2,(H,26,28)