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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylsulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-2-methylsulfonylbenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-mesyl-benzamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4S(=O)(=O)C)C

InChI

InChI=1S/C22H22N4O3S2/c1-15-14-16(2)26(24-15)13-12-25(22-23-18-9-5-6-10-19(18)30-22)21(27)17-8-4-7-11-20(17)31(3,28)29/h4-11,14H,12-13H2,1-3H3