N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(p-tolylsulfonyl)-N-(2-pyridylmethyl)acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)acetamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-2-tosyl-acetamide Formula: C22H18BrN3O3S2 MolecularWeight: 516.43062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O3S2/c1-15-5-8-18(9-6-15)31(28,29)14-21(27)26(13-17-4-2-3-11-24-17)22-25-19-10-7-16(23)12-20(19)30-22/h2-12H,13-14H2,1H3