4-[[[(1E)-1-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)ethyl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[(1E)-1-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)ethyl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[(1E)-1-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)ethyl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[(1E)-1-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)ethyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[(1E)-1-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethyl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[(1E)-1-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)ethyl]amino]methyl]benzenesulfonamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(\C)/NCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-13(21-12-15-8-10-17(11-9-15)27(20,25)26)18-14(2)22-23(19(18)24)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3,(H2,20,25,26)/b18-13+