4-[1-ethyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[(3-nitrophenyl)methylthio]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[(3-nitrobenzyl)thio]benzimidazol-5-yl]sulfonylmorpholine Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S2/c1-2-23-19-7-6-17(31(27,28)22-8-10-29-11-9-22)13-18(19)21-20(23)30-14-15-4-3-5-16(12-15)24(25)26/h3-7,12-13H,2,8-11,14H2,1H3