3-[(4Z)-4-[[ethyl(phenyl)amino]methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 3-[(4Z)-4-[[ethyl(phenyl)amino]methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 3-[(4Z)-4-[(N-ethylanilino)methylene]-5-oxo-3-propyl-pyrazol-1-yl]benzenesulfonic acid CAS Name: 3-[(4Z)-4-[(N-ethylanilino)methylidene]-5-oxo-3-propyl-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 3-[(4Z)-4-[(N-ethylanilino)methylidene]-5-oxo-3-propylpyrazol-1-yl]benzenesulfonic acid Traditional Name: 3-[(4Z)-4-[(N-ethylanilino)methylene]-5-keto-3-propyl-2-pyrazolin-1-yl]besylic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CN(CC)C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C\N(CC)C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C21H23N3O4S/c1-3-9-20-19(15-23(4-2)16-10-6-5-7-11-16)21(25)24(22-20)17-12-8-13-18(14-17)29(26,27)28/h5-8,10-15H,3-4,9H2,1-2H3,(H,26,27,28)/b19-15-