2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-(4-bromanyl-3-methyl-phenyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-(4-bromanyl-3-methyl-phenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-(4-bromo-3-methylphenyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(esyl)amino]-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)NC1=CC(=C(C=C1)Br)C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)NC1=CC(=C(C=C1)Br)C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19BrN2O5S/c1-3-27(23,24)21(14-5-7-16-17(9-14)26-11-25-16)10-18(22)20-13-4-6-15(19)12(2)8-13/h4-9H,3,10-11H2,1-2H3,(H,20,22)