N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-hydroxyethylsulfanyl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-hydroxyethylsulfanyl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-hydroxyethylsulfanyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(2-hydroxyethylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(2-hydroxyethylsulfanyl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-hydroxyethylthio)acetamide Formula: C17H26N2O5S2 MolecularWeight: 402.52874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSCCO

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSCCO

InChI

InChI=1S/C17H26N2O5S2/c1-24-16-7-6-14(12-15(16)18-17(21)13-25-11-10-20)26(22,23)19-8-4-2-3-5-9-19/h6-7,12,20H,2-5,8-11,13H2,1H3,(H,18,21)