N-tert-butyl-4-(5-oxidanylidene-3-propyl-4H-pyrazol-1-yl)benzenesulfonamide; 2-ethyl-3-oxidanylidene-hexanoic acid

Systemtic Name: N-tert-butyl-4-(5-oxidanylidene-3-propyl-4H-pyrazol-1-yl)benzenesulfonamide; 2-ethyl-3-oxidanylidene-hexanoic acid Openeye Name: N-tert-butyl-4-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzenesulfonamide; 2-ethyl-3-oxo-hexanoic acid CAS Name: N-tert-butyl-4-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzenesulfonamide; 2-ethyl-3-oxohexanoic acid IUPAC Name: N-tert-butyl-4-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzenesulfonamide; 2-ethyl-3-oxohexanoic acid Traditional Name: N-tert-butyl-4-(5-keto-3-propyl-2-pyrazolin-1-yl)benzenesulfonamide; 2-ethyl-3-keto-hexanoic acid Formula: C24H37N3O6S MolecularWeight: 495.63208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C.CCCC(=O)C(CC)C(=O)O

Isomeric SMILES

CCCC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C.CCCC(=O)C(CC)C(=O)O

InChI

InChI=1S/C16H23N3O3S.C8H14O3/c1-5-6-12-11-15(20)19(17-12)13-7-9-14(10-8-13)23(21,22)18-16(2,3)4;1-3-5-7(9)6(4-2)8(10)11/h7-10,18H,5-6,11H2,1-4H3;6H,3-5H2,1-2H3,(H,10,11)