N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-(2,5-dimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-(2,5-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(2,5-dimethylphenyl)sulfanyl-acetamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-[(2,5-dimethylphenyl)thio]acetamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-[(2,5-dimethylphenyl)thio]acetamide Formula: C26H35N3O4S2 MolecularWeight: 517.7038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C26H35N3O4S2/c1-20-7-8-21(2)25(17-20)34-19-26(30)27-23-18-22(35(31,32)29-13-15-33-16-14-29)9-10-24(23)28-11-5-3-4-6-12-28/h7-10,17-18H,3-6,11-16,19H2,1-2H3,(H,27,30)