N-hexyl-3-[(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)methyl]-4-propoxy-benzenesulfonamide; 3-oxidanylidenehexanoic acid

Systemtic Name: N-hexyl-3-[(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)methyl]-4-propoxy-benzenesulfonamide; 3-oxidanylidenehexanoic acid Openeye Name: N-hexyl-3-[(3-methyl-5-oxo-4H-pyrazol-1-yl)methyl]-4-propoxy-benzenesulfonamide; 3-oxohexanoic acid CAS Name: N-hexyl-3-[(3-methyl-5-oxo-4H-pyrazol-1-yl)methyl]-4-propoxybenzenesulfonamide; 3-oxohexanoic acid IUPAC Name: N-hexyl-3-[(3-methyl-5-oxo-4H-pyrazol-1-yl)methyl]-4-propoxybenzenesulfonamide; 3-oxohexanoic acid Traditional Name: N-hexyl-3-[(5-keto-3-methyl-2-pyrazolin-1-yl)methyl]-4-propoxy-benzenesulfonamide; 3-ketohexanoic acid Formula: C26H41N3O7S MolecularWeight: 539.68464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNS(=O)(=O)C1=CC(=C(C=C1)OCCC)CN2C(=O)CC(=N2)C.CCCC(=O)CC(=O)O

Isomeric SMILES

CCCCCCNS(=O)(=O)C1=CC(=C(C=C1)OCCC)CN2C(=O)CC(=N2)C.CCCC(=O)CC(=O)O

InChI

InChI=1S/C20H31N3O4S.C6H10O3/c1-4-6-7-8-11-21-28(25,26)18-9-10-19(27-12-5-2)17(14-18)15-23-20(24)13-16(3)22-23;1-2-3-5(7)4-6(8)9/h9-10,14,21H,4-8,11-13,15H2,1-3H3;2-4H2,1H3,(H,8,9)