N-(2,1,3-benzothiadiazol-4-yl)-5-bromanyl-2-[(4-methylphenyl)sulfonylamino]benzamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-5-bromanyl-2-[(4-methylphenyl)sulfonylamino]benzamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-(p-tolylsulfonylamino)benzamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-[(4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-[(4-methylphenyl)sulfonylamino]benzamide Traditional Name: 5-bromo-N-piazthiol-4-yl-2-(tosylamino)benzamide Formula: C20H15BrN4O3S2 MolecularWeight: 503.3921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H15BrN4O3S2/c1-12-5-8-14(9-6-12)30(27,28)25-16-10-7-13(21)11-15(16)20(26)22-17-3-2-4-18-19(17)24-29-23-18/h2-11,25H,1H3,(H,22,26)