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

Systemtic Name: N-(5-chloranylpyridin-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-3-carboxamide Openeye Name: N-(5-chloro-2-pyridyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-3-carboxamide CAS Name: N-(5-chloro-2-pyridinyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(5-chloropyridin-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-3-carboxamide Traditional Name: N-(5-chloro-2-pyridyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)nipecotamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN3O5S/c21-15-4-7-19(22-12-15)23-20(25)14-3-1-8-24(13-14)30(26,27)16-5-6-17-18(11-16)29-10-2-9-28-17/h4-7,11-12,14H,1-3,8-10,13H2,(H,22,23,25)