2,6-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-3-carboxamide

Systemtic Name: 2,6-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-3-carboxamide Openeye Name: 2,6-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-3-carboxamide CAS Name: 2,6-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-quinolinecarboxamide IUPAC Name: 2,6-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-3-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2,6-dimethyl-quinoline-3-carboxamide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H17N3O3S2/c1-11-4-6-16-13(8-11)9-15(12(2)21-16)19(24)23-20-22-17-7-5-14(28(3,25)26)10-18(17)27-20/h4-10H,1-3H3,(H,22,23,24)