N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-yl-ethyl]pentanamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-yl-ethyl]pentanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-pyridyl)ethyl]pentanamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-pyridinyl)ethyl]pentanamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]pentanamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-pyridyl)ethyl]valeramide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC(C1=CN=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCC(=O)NCC(C1=CN=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H24N2O5S/c1-2-3-6-20(23)22-14-19(15-5-4-9-21-13-15)28(24,25)16-7-8-17-18(12-16)27-11-10-26-17/h4-5,7-9,12-13,19H,2-3,6,10-11,14H2,1H3,(H,22,23)