2-methoxy-3-[1-(methylsulfanylmethoxy)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethyl]quinoline

Systemtic Name: 2-methoxy-3-[1-(methylsulfanylmethoxy)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethyl]quinoline Openeye Name: 2-methoxy-3-[1-(methylsulfanylmethoxy)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitro-phenyl]ethyl]quinoline CAS Name: 2-methoxy-3-[2-[5-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-nitrophenyl]-1-[(methylthio)methoxy]ethyl]quinoline IUPAC Name: 2-methoxy-3-[1-(methylsulfanylmethoxy)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitrophenyl]ethyl]quinoline Traditional Name: 3-[2-[5-[(4-mesylpiperazino)methyl]-2-nitro-phenyl]-1-[(methylthio)methoxy]ethyl]-2-methoxy-quinoline Formula: C26H32N4O6S2 MolecularWeight: 560.68548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C=C1C(CC3=C(C=CC(=C3)CN4CCN(CC4)S(=O)(=O)C)[N+](=O)[O-])OCSC

Isomeric SMILES

COC1=NC2=CC=CC=C2C=C1C(CC3=C(C=CC(=C3)CN4CCN(CC4)S(=O)(=O)C)[N+](=O)[O-])OCSC

InChI

InChI=1S/C26H32N4O6S2/c1-35-26-22(15-20-6-4-5-7-23(20)27-26)25(36-18-37-2)16-21-14-19(8-9-24(21)30(31)32)17-28-10-12-29(13-11-28)38(3,33)34/h4-9,14-15,25H,10-13,16-18H2,1-3H3