4-[(4Z)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-3-methyl-4-[(4-morpholinophenyl)methylene]-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-3-methyl-4-[[4-(4-morpholinyl)phenyl]methylidene]-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-(4-morpholinobenzylidene)-2-pyrazolin-1-yl]besylic acid Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N3CCOCC3)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)N3CCOCC3)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C21H21N3O5S/c1-15-20(14-16-2-4-17(5-3-16)23-10-12-29-13-11-23)21(25)24(22-15)18-6-8-19(9-7-18)30(26,27)28/h2-9,14H,10-13H2,1H3,(H,26,27,28)/b20-14-