4-[4-(1-ethylbenzimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-(1-ethylbenzimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-(1-ethylbenzimidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(1-ethyl-2-benzimidazolyl)thio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-(1-ethylbenzimidazol-2-yl)sulfanyl-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(1-ethylbenzimidazol-2-yl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C19H20N4O5S2 MolecularWeight: 448.5159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S2/c1-2-22-16-6-4-3-5-15(16)20-19(22)29-18-8-7-14(13-17(18)23(24)25)30(26,27)21-9-11-28-12-10-21/h3-8,13H,2,9-12H2,1H3