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

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]acetamide Formula: C26H31N5O4S2 MolecularWeight: 541.68544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N(CCC#N)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N(CCC#N)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C26H31N5O4S2/c1-4-30-24-7-6-22(37(33,34)29-10-12-35-13-11-29)17-23(24)28-26(30)36-18-25(32)31(9-5-8-27)21-15-19(2)14-20(3)16-21/h6-7,14-17H,4-5,9-13,18H2,1-3H3