N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-methoxyphenyl)methylthio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(p-anisylthio)acetamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S2/c1-28-20-10-6-18(7-11-20)16-29-17-22(25)23-19-8-12-21(13-9-19)30(26,27)24-14-4-2-3-5-15-24/h6-13H,2-5,14-17H2,1H3,(H,23,25)