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

Systemtic Name: N-hexyl-3-[(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)methyl]-4-propoxy-benzenesulfonamide Openeye Name: N-hexyl-3-[(3-methyl-5-oxo-4H-pyrazol-1-yl)methyl]-4-propoxy-benzenesulfonamide CAS Name: N-hexyl-3-[(3-methyl-5-oxo-4H-pyrazol-1-yl)methyl]-4-propoxybenzenesulfonamide IUPAC Name: N-hexyl-3-[(3-methyl-5-oxo-4H-pyrazol-1-yl)methyl]-4-propoxybenzenesulfonamide Traditional Name: N-hexyl-3-[(5-keto-3-methyl-2-pyrazolin-1-yl)methyl]-4-propoxy-benzenesulfonamide Formula: C20H31N3O4S MolecularWeight: 409.54284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S/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/h9-10,14,21H,4-8,11-13,15H2,1-3H3