1-ethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-2-[(3-morpholinosulfonylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-ethyl-2-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-[(3-morpholinosulfonylbenzyl)thio]benzimidazole-5-sulfonamide Formula: C20H24N4O5S3 MolecularWeight: 496.62336

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H24N4O5S3/c1-2-24-19-7-6-16(31(21,25)26)13-18(19)22-20(24)30-14-15-4-3-5-17(12-15)32(27,28)23-8-10-29-11-9-23/h3-7,12-13H,2,8-11,14H2,1H3,(H2,21,25,26)