2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-phenyl-pyridine-3-carboxamide Openeye Name: 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-phenyl-pyridine-3-carboxamide CAS Name: 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-phenyl-3-pyridinecarboxamide IUPAC Name: 2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-phenylpyridine-3-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-methyl-6-phenyl-nicotinamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H17N3O3S2/c1-13-16(9-11-17(22-13)14-6-4-3-5-7-14)20(25)24-21-23-18-10-8-15(29(2,26)27)12-19(18)28-21/h3-12H,1-2H3,(H,23,24,25)