4-[(4E)-3-methyl-5-oxidanylidene-4-[(3-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[(4E)-3-methyl-5-oxidanylidene-4-[(3-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[(4E)-3-methyl-5-oxo-4-[(3-prop-2-ynoxyphenyl)methylene]pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[(4E)-3-methyl-5-oxo-4-[(3-prop-2-ynoxyphenyl)methylidene]-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[(4E)-3-methyl-5-oxo-4-[(3-prop-2-ynoxyphenyl)methylidene]pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[(4E)-5-keto-3-methyl-4-(3-propargyloxybenzylidene)-2-pyrazolin-1-yl]benzenesulfonamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OCC#C)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-3-11-27-17-6-4-5-15(12-17)13-19-14(2)22-23(20(19)24)16-7-9-18(10-8-16)28(21,25)26/h1,4-10,12-13H,11H2,2H3,(H2,21,25,26)/b19-13+