4-[4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonate

Systemtic Name: 4-[4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonate Openeye Name: 4-[4-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzenesulfonate CAS Name: 4-[4-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzenesulfonate IUPAC Name: 4-[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzenesulfonate Traditional Name: 4-[5-keto-4-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methylene]-3-methylene-pyrazolidin-1-yl]besylate Formula: C20H17N4O5S- MolecularWeight: 425.43778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C=C3C(=C)NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C=C3C(=C)NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])N(C1=O)C

InChI

InChI=1S/C20H18N4O5S/c1-12-16(10-13-4-9-17-18(11-13)23(3)20(26)22(17)2)19(25)24(21-12)14-5-7-15(8-6-14)30(27,28)29/h4-11,21H,1H2,2-3H3,(H,27,28,29)/p-1