4-[(4Z)-4-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[(4Z)-4-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonamide Openeye Name: 4-[(4Z)-4-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzenesulfonamide CAS Name: 4-[(4Z)-4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzenesulfonamide IUPAC Name: 4-[(4Z)-4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzenesulfonamide Traditional Name: 4-[(4Z)-4-(4-benzoxy-3-bromo-5-methoxy-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]benzenesulfonamide Formula: C25H22BrN3O5S MolecularWeight: 556.42828

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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)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=C)NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22BrN3O5S/c1-16-21(25(30)29(28-16)19-8-10-20(11-9-19)35(27,31)32)12-18-13-22(26)24(23(14-18)33-2)34-15-17-6-4-3-5-7-17/h3-14,28H,1,15H2,2H3,(H2,27,31,32)/b21-12-