4-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(5,6-dimethyl-1-benzimidazolyl)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(5,6-dimethylbenzimidazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C19H22N4O4S MolecularWeight: 402.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C=NC3=C2C=C(C(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C=NC3=C2C=C(C(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c1-5-21(6-2)28(26,27)15-7-8-17(19(11-15)23(24)25)22-12-20-16-9-13(3)14(4)10-18(16)22/h7-12H,5-6H2,1-4H3