2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfonyl]-N-(4-methoxyphenyl)propanamide

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfonyl]-N-(4-methoxyphenyl)propanamide Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-N-(4-methoxyphenyl)propanamide CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-N-(4-methoxyphenyl)propanamide IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-N-(4-methoxyphenyl)propanamide Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-N-(4-methoxyphenyl)propionamide Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)S(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC)S(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C18H18ClNO6S/c1-11(18(21)20-13-3-5-14(24-2)6-4-13)27(22,23)9-12-7-15(19)17-16(8-12)25-10-26-17/h3-8,11H,9-10H2,1-2H3,(H,20,21)