3-[[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]methyl]-N-hexyl-4-propoxy-benzenesulfonamide

Systemtic Name: 3-[[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]methyl]-N-hexyl-4-propoxy-benzenesulfonamide Openeye Name: 3-[[(4E)-4-[(2-ethylanilino)methylene]-3-methyl-5-oxo-pyrazol-1-yl]methyl]-N-hexyl-4-propoxy-benzenesulfonamide CAS Name: 3-[[(4E)-4-[(2-ethylanilino)methylidene]-3-methyl-5-oxo-1-pyrazolyl]methyl]-N-hexyl-4-propoxybenzenesulfonamide IUPAC Name: 3-[[(4E)-4-[(2-ethylanilino)methylidene]-3-methyl-5-oxopyrazol-1-yl]methyl]-N-hexyl-4-propoxybenzenesulfonamide Traditional Name: 3-[[(4E)-4-[(2-ethylanilino)methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]methyl]-N-hexyl-4-propoxy-benzenesulfonamide Formula: C29H40N4O4S MolecularWeight: 540.7173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNS(=O)(=O)C1=CC(=C(C=C1)OCCC)CN2C(=O)C(=CNC3=CC=CC=C3CC)C(=N2)C

Isomeric SMILES

CCCCCCNS(=O)(=O)C1=CC(=C(C=C1)OCCC)CN2C(=O)/C(=C/NC3=CC=CC=C3CC)/C(=N2)C

InChI

InChI=1S/C29H40N4O4S/c1-5-8-9-12-17-31-38(35,36)25-15-16-28(37-18-6-2)24(19-25)21-33-29(34)26(22(4)32-33)20-30-27-14-11-10-13-23(27)7-3/h10-11,13-16,19-20,30-31H,5-9,12,17-18,21H2,1-4H3/b26-20+