N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C22H27N3O6S2 MolecularWeight: 493.59628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S2/c1-31-21-11-6-17(14-20(21)25(27)28)15-32-16-22(26)23-18-7-9-19(10-8-18)33(29,30)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13,15-16H2,1H3,(H,23,26)