N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylsulfonyl)piperidine-2-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylsulfonyl)piperidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-2-carboxamide Traditional Name: 1-besyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pipecolinamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N2O5S/c24-21(22-16-10-11-19-20(15-16)28-14-6-13-27-19)18-9-4-5-12-23(18)29(25,26)17-7-2-1-3-8-17/h1-3,7-8,10-11,15,18H,4-6,9,12-14H2,(H,22,24)