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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)OC1

InChI

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