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

Systemtic Name: N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-methylsulfonyl-benzamide Openeye Name: N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-methylsulfonyl-benzamide CAS Name: N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-2-methylsulfonylbenzamide IUPAC Name: N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfonylbenzamide Traditional Name: 2-mesyl-N-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)C)C3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)C)C3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C20H18N4O4S2/c1-12-10-18(22-19(25)14-6-4-5-7-17(14)30(3,26)27)24(23-12)20-21-15-9-8-13(28-2)11-16(15)29-20/h4-11H,1-3H3,(H,22,25)