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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O3S2/c23-18-8-9-19-20(11-18)30-22(25-19)26(13-17-7-4-10-24-12-17)21(27)15-31(28,29)14-16-5-2-1-3-6-16/h1-12H,13-15H2