N-[4-[2-propanoyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-propanoyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-propanoyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[4-[2-(1-oxopropyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-propanoyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[1-propionyl-5-(3,4,5-trimethoxyphenyl)-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H27N3O6S/c1-6-21(26)25-18(15-11-19(29-2)22(31-4)20(12-15)30-3)13-17(23-25)14-7-9-16(10-8-14)24-32(5,27)28/h7-12,18,24H,6,13H2,1-5H3