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

Systemtic Name: N-[4-[3-(3,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[3-(3,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[4-[3-(3,4-dimethoxyphenyl)-2-(1-oxopropyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[3-(3,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[5-(3,4-dimethoxyphenyl)-1-propionyl-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-5-21(25)24-18(15-8-11-19(28-2)20(12-15)29-3)13-17(22-24)14-6-9-16(10-7-14)23-30(4,26)27/h6-12,18,23H,5,13H2,1-4H3