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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzamide Formula: C27H23N3O3S2 MolecularWeight: 501.61982

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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=CC=CC=C5S4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(=O)NC4=NC5=CC=CC=C5S4)S(=O)(=O)C

InChI

InChI=1S/C27H23N3O3S2/c1-27(2,35(3,32)33)20-15-18-10-7-13-28-24(18)21(16-20)17-8-6-9-19(14-17)25(31)30-26-29-22-11-4-5-12-23(22)34-26/h4-16H,1-3H3,(H,29,30,31)