3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[1-(4-mesylphenyl)ethyl]propionamide Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21NO5S/c1-13(15-5-7-16(8-6-15)26(2,22)23)20-19(21)10-4-14-3-9-17-18(11-14)25-12-24-17/h3,5-9,11,13H,4,10,12H2,1-2H3,(H,20,21)