1-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-3,3-dimethyl-butan-2-one

Systemtic Name: 1-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-3,3-dimethyl-butan-2-one Openeye Name: 1-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-3,3-dimethyl-butan-2-one CAS Name: 1-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-3,3-dimethylbutan-2-one Traditional Name: 1-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]-3,3-dimethyl-butan-2-one Formula: C19H27N3O4S2 MolecularWeight: 425.56538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)C(C)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)C(C)(C)C

InChI

InChI=1S/C19H27N3O4S2/c1-5-22-16-7-6-14(28(24,25)21-8-10-26-11-9-21)12-15(16)20-18(22)27-13-17(23)19(2,3)4/h6-7,12H,5,8-11,13H2,1-4H3