N,N-diethyl-4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonamide; 3-oxidanylidenehexanoic acid

Systemtic Name: N,N-diethyl-4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonamide; 3-oxidanylidenehexanoic acid Openeye Name: N,N-diethyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide; 3-oxohexanoic acid CAS Name: N,N-diethyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide; 3-oxohexanoic acid IUPAC Name: N,N-diethyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide; 3-oxohexanoic acid Traditional Name: N,N-diethyl-4-(5-keto-3-methyl-2-pyrazolin-1-yl)benzenesulfonamide; 3-ketohexanoic acid Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)O.CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)C

Isomeric SMILES

CCCC(=O)CC(=O)O.CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)C

InChI

InChI=1S/C14H19N3O3S.C6H10O3/c1-4-16(5-2)21(19,20)13-8-6-12(7-9-13)17-14(18)10-11(3)15-17;1-2-3-5(7)4-6(8)9/h6-9H,4-5,10H2,1-3H3;2-4H2,1H3,(H,8,9)