N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]pentanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]pentanamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]pentanamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]pentanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]pentanamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]valeramide Formula: C19H22N2O5S MolecularWeight: 390.45338

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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)OCO3

Isomeric SMILES

CCCCC(=O)NCC(C1=CN=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O5S/c1-2-3-6-19(22)21-12-18(14-5-4-9-20-11-14)27(23,24)15-7-8-16-17(10-15)26-13-25-16/h4-5,7-11,18H,2-3,6,12-13H2,1H3,(H,21,22)