4-[4-[(5-bromanyl-2-butoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-[(5-bromanyl-2-butoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonamide Openeye Name: 4-[4-[(5-bromo-2-butoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzenesulfonamide CAS Name: 4-[4-[(5-bromo-2-butoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzenesulfonamide IUPAC Name: 4-[4-[(5-bromo-2-butoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzenesulfonamide Traditional Name: 4-[4-(5-bromo-2-butoxy-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]benzenesulfonamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C=C2C(=C)NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C=C2C(=C)NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H22BrN3O4S/c1-3-4-11-29-20-10-5-16(22)12-15(20)13-19-14(2)24-25(21(19)26)17-6-8-18(9-7-17)30(23,27)28/h5-10,12-13,24H,2-4,11H2,1H3,(H2,23,27,28)