N-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]phenyl]-2-methyl-2-oxidanyl-propanamide

Systemtic Name: N-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]phenyl]-2-methyl-2-oxidanyl-propanamide Openeye Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]phenyl]-2-hydroxy-2-methyl-propanamide CAS Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]phenyl]-2-hydroxy-2-methylpropanamide IUPAC Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]phenyl]-2-hydroxy-2-methylpropanamide Traditional Name: N-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]phenyl]-2-hydroxy-2-methyl-propionamide Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC=CC=C1SCC2=CC3=C(C=C2Cl)OCO3)O

Isomeric SMILES

CC(C)(C(=O)NC1=CC=CC=C1SCC2=CC3=C(C=C2Cl)OCO3)O

InChI

InChI=1S/C18H18ClNO4S/c1-18(2,22)17(21)20-13-5-3-4-6-16(13)25-9-11-7-14-15(8-12(11)19)24-10-23-14/h3-8,22H,9-10H2,1-2H3,(H,20,21)