4-[(4Z)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[(4Z)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonamide Openeye Name: 4-[(4Z)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzenesulfonamide CAS Name: 4-[(4Z)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzenesulfonamide IUPAC Name: 4-[(4Z)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzenesulfonamide Traditional Name: 4-[(4Z)-5-keto-4-(3-methoxy-4-propargyloxy-benzylidene)-3-methylene-pyrazolidin-1-yl]benzenesulfonamide Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=C)NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=C)NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)OCC#C

InChI

InChI=1S/C21H19N3O5S/c1-4-11-29-19-10-5-15(13-20(19)28-3)12-18-14(2)23-24(21(18)25)16-6-8-17(9-7-16)30(22,26)27/h1,5-10,12-13,23H,2,11H2,3H3,(H2,22,26,27)/b18-12-