N-[3-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[(4E)-4-[(2-ethylanilino)methylene]-5-oxo-3-propyl-pyrazol-1-yl]phenyl]methanesulfonamide CAS Name: N-[3-[(4E)-4-[(2-ethylanilino)methylidene]-5-oxo-3-propyl-1-pyrazolyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[(4E)-4-[(2-ethylanilino)methylidene]-5-oxo-3-propylpyrazol-1-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[(4E)-4-[(2-ethylanilino)methylene]-5-keto-3-propyl-2-pyrazolin-1-yl]phenyl]methanesulfonamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNC2=CC=CC=C2CC)C3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/NC2=CC=CC=C2CC)C3=CC(=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C22H26N4O3S/c1-4-9-21-19(15-23-20-13-7-6-10-16(20)5-2)22(27)26(24-21)18-12-8-11-17(14-18)25-30(3,28)29/h6-8,10-15,23,25H,4-5,9H2,1-3H3/b19-15+