N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-pyridylmethyl)benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-esyl-N-(2-pyridylmethyl)benzamide Formula: C22H18BrN3O3S2 MolecularWeight: 516.43062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O3S2/c1-2-31(28,29)18-8-5-6-15(12-18)21(27)26(14-17-7-3-4-11-24-17)22-25-19-10-9-16(23)13-20(19)30-22/h3-13H,2,14H2,1H3