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

Systemtic Name: N-[4-[3-(4-dimethylaminophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[3-(4-dimethylaminophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[4-[3-(4-dimethylaminophenyl)-2-(1-oxopropyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[3-(4-dimethylaminophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[5-(4-dimethylaminophenyl)-1-propionyl-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-5-21(26)25-20(16-8-12-18(13-9-16)24(2)3)14-19(22-25)15-6-10-17(11-7-15)23-29(4,27)28/h6-13,20,23H,5,14H2,1-4H3