2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfonyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfonyl]-N-phenethyl-ethanamide Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-N-phenethyl-acetamide CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-N-phenethylacetamide IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-N-phenethylacetamide Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-N-phenethyl-acetamide Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CS(=O)(=O)CC(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CS(=O)(=O)CC(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H18ClNO5S/c19-15-8-14(9-16-18(15)25-12-24-16)10-26(22,23)11-17(21)20-7-6-13-4-2-1-3-5-13/h1-5,8-9H,6-7,10-12H2,(H,20,21)