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

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromanyl-2-methyl-phenyl)propanamide Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromo-2-methyl-phenyl)propanamide CAS Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromo-2-methylphenyl)propanamide IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromo-2-methylphenyl)propanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-3-piazthiol-4-ylsulfonyl-propionamide Formula: C16H14BrN3O3S2 MolecularWeight: 440.33466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O3S2/c1-10-9-11(17)5-6-12(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)