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

Systemtic Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]propanamide Traditional Name: 3-besyl-N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]propionamide 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)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S2/c1-3-30-17-10-7-11-18-21(17)24-22(31-18)26-19(14-15(2)25-26)23-20(27)12-13-32(28,29)16-8-5-4-6-9-16/h4-11,14H,3,12-13H2,1-2H3,(H,23,27)