N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-ethylsulfonyl-benzamide

Systemtic Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-ethylsulfonyl-benzamide Openeye Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-ethylsulfonyl-benzamide CAS Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-2-ethylsulfonylbenzamide IUPAC Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-ethylsulfonylbenzamide Traditional Name: 2-esyl-N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=CC=C4S(=O)(=O)CC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=CC=C4S(=O)(=O)CC

InChI

InChI=1S/C22H22N4O4S2/c1-4-30-16-10-8-11-17-20(16)24-22(31-17)26-19(13-14(3)25-26)23-21(27)15-9-6-7-12-18(15)32(28,29)5-2/h6-13H,4-5H2,1-3H3,(H,23,27)