2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]-N-(isoamylcarbamoyl)acetamide Formula: C21H31N5O5S2 MolecularWeight: 497.63134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O5S2/c1-4-26-18-6-5-16(33(29,30)25-9-11-31-12-10-25)13-17(18)23-21(26)32-14-19(27)24-20(28)22-8-7-15(2)3/h5-6,13,15H,4,7-12,14H2,1-3H3,(H2,22,24,27,28)