N-(4-bromanyl-3-methyl-phenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(esyl)amino]acetamide Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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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)OCCO3

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)NC1=CC(=C(C=C1)Br)C)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H21BrN2O5S/c1-3-28(24,25)22(15-5-7-17-18(11-15)27-9-8-26-17)12-19(23)21-14-4-6-16(20)13(2)10-14/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,23)