2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]acetamide Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-N-[(6-pyrrolidino-3-pyridyl)methyl]acetamide Formula: C20H24N4O4S MolecularWeight: 416.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NCC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NCC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S/c1-28-18-6-4-15(10-17(18)24(26)27)13-29-14-20(25)22-12-16-5-7-19(21-11-16)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9,12-14H2,1H3,(H,22,25)