1-[1-ethyl-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-benzimidazol-5-yl]butan-1-one

Systemtic Name: 1-[1-ethyl-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-benzimidazol-5-yl]butan-1-one Openeye Name: 1-[1-ethyl-2-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanyl-benzimidazol-5-yl]butan-1-one CAS Name: 1-[1-ethyl-2-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]-5-benzimidazolyl]-1-butanone IUPAC Name: 1-[1-ethyl-2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanylbenzimidazol-5-yl]butan-1-one Traditional Name: 1-[1-ethyl-2-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]benzimidazol-5-yl]butan-1-one Formula: C23H26N4O6S2 MolecularWeight: 518.60574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)N(C(=N2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])CC

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)N(C(=N2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])CC

InChI

InChI=1S/C23H26N4O6S2/c1-3-5-21(28)16-6-8-19-18(14-16)24-23(26(19)4-2)34-22-9-7-17(15-20(22)27(29)30)35(31,32)25-10-12-33-13-11-25/h6-9,14-15H,3-5,10-13H2,1-2H3