3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-bromanyl-4-methyl-phenyl)propanamide

Systemtic Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-bromanyl-4-methyl-phenyl)propanamide Openeye Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-bromo-4-methyl-phenyl)propanamide CAS Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-bromo-4-methylphenyl)propanamide IUPAC Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-bromo-4-methylphenyl)propanamide Traditional Name: 3-benzofurazan-4-ylsulfonyl-N-(2-bromo-4-methyl-phenyl)propionamide Formula: C16H14BrN3O4S MolecularWeight: 424.26906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NON=C32)Br

InChI

InChI=1S/C16H14BrN3O4S/c1-10-5-6-12(11(17)9-10)18-15(21)7-8-25(22,23)14-4-2-3-13-16(14)20-24-19-13/h2-6,9H,7-8H2,1H3,(H,18,21)