N-(2-bromanyl-4-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanamide CAS Name: N-(2-bromo-4-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyramide Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)Br

InChI

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