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

Systemtic Name: N-[3-[2-(2-ethylbutanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[2-(2-ethylbutanoyl)-3-(2-thienyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide CAS Name: N-[3-[2-(2-ethyl-1-oxobutyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide IUPAC Name: N-[3-[2-(2-ethylbutanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[1-(2-ethylbutanoyl)-5-(2-thienyl)-2-pyrazolin-3-yl]phenyl]methanesulfonamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1C(CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CS3

Isomeric SMILES

CCC(CC)C(=O)N1C(CC(=N1)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CS3

InChI

InChI=1S/C20H25N3O3S2/c1-4-14(5-2)20(24)23-18(19-10-7-11-27-19)13-17(21-23)15-8-6-9-16(12-15)22-28(3,25)26/h6-12,14,18,22H,4-5,13H2,1-3H3