4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propoxy]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C21H21N5O6S MolecularWeight: 471.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6S/c1-3-25(4-2)33(30,31)14-9-10-20(18(11-14)26(28)29)32-13-19(27)15(12-22)21-23-16-7-5-6-8-17(16)24-21/h5-11,23-24H,3-4,13H2,1-2H3