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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(1,2-dimethylpropyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-methylbutan-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(1,2-dimethylpropyl)isonipecotamide Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)C(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H30N2O5S/c1-14(2)15(3)21-20(23)16-7-9-22(10-8-16)28(24,25)17-5-6-18-19(13-17)27-12-4-11-26-18/h5-6,13-16H,4,7-12H2,1-3H3,(H,21,23)