4-[(4Z)-3-methyl-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-3-methyl-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-3-methyl-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylene]-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-3-methyl-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-3-methyl-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylene]-2-pyrazolin-1-yl]besylic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)N(CCC3)C)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC3=C(C=C2)N(CCC3)C)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C21H21N3O4S/c1-14-19(13-15-5-10-20-16(12-15)4-3-11-23(20)2)21(25)24(22-14)17-6-8-18(9-7-17)29(26,27)28/h5-10,12-13H,3-4,11H2,1-2H3,(H,26,27,28)/b19-13-