N-(3-chloranyl-4-piperidin-1-yl-phenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-piperidin-1-yl-phenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-[3-chloro-4-(1-piperidyl)phenyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-[3-chloro-4-(1-piperidinyl)phenyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-(3-chloro-4-piperidin-1-ylphenyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(3-chloro-4-piperidino-phenyl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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)N3CCCCC3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC(=C(C=C2)N3CCCCC3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O4S/c1-29-20-8-5-15(11-19(20)25(27)28)13-30-14-21(26)23-16-6-7-18(17(22)12-16)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,23,26)