N-[4-[2-(2-ethylbutanoyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-(2-ethylbutanoyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-(2-ethylbutanoyl)-3-(o-tolyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[4-[2-(2-ethyl-1-oxobutyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(2-ethylbutanoyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[1-(2-ethylbutanoyl)-5-(o-tolyl)-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CC=C3C

Isomeric SMILES

CCC(CC)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CC=C3C

InChI

InChI=1S/C23H29N3O3S/c1-5-17(6-2)23(27)26-22(20-10-8-7-9-16(20)3)15-21(24-26)18-11-13-19(14-12-18)25-30(4,28)29/h7-14,17,22,25H,5-6,15H2,1-4H3