N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide Openeye Name: 3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzamide Formula: C28H25N3O5S3 MolecularWeight: 579.7102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C28H25N3O5S3/c1-28(2,39(4,35)36)20-14-18-9-6-12-29-25(18)22(15-20)17-7-5-8-19(13-17)26(32)31-27-30-23-11-10-21(38(3,33)34)16-24(23)37-27/h5-16H,1-4H3,(H,30,31,32)