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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(5-methyl-2-pyridyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(5-methyl-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(5-methyl-2-pyridyl)isonipecotamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CN=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25N3O5S/c1-15-3-6-20(22-14-15)23-21(25)16-7-9-24(10-8-16)30(26,27)17-4-5-18-19(13-17)29-12-2-11-28-18/h3-6,13-14,16H,2,7-12H2,1H3,(H,22,23,25)