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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-2-methyl-propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-2-methyl-propanamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-2-methylpropanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-2-methyl-propionamide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-12(2)18(21)20-10-17(13-4-3-7-19-9-13)26(22,23)14-5-6-15-16(8-14)25-11-24-15/h3-9,12,17H,10-11H2,1-2H3,(H,20,21)