4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C21H20N4O3S2/c1-13-10-14(2)25(24-13)12-15-4-6-16(7-5-15)20(26)23-21-22-18-9-8-17(30(3,27)28)11-19(18)29-21/h4-11H,12H2,1-3H3,(H,22,23,26)