1-[3-methoxy-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanone Openeye Name: 1-[3-methoxy-4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]phenyl]ethanone CAS Name: 1-[3-methoxy-4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]phenyl]ethanone IUPAC Name: 1-[3-methoxy-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]phenyl]ethanone Traditional Name: 1-[3-methoxy-4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenoxy]phenyl]ethanone Formula: C21H24N2O7S MolecularWeight: 448.48946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)C(=O)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)C(=O)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7S/c1-14-8-10-22(11-9-14)31(27,28)17-5-7-19(18(13-17)23(25)26)30-20-6-4-16(15(2)24)12-21(20)29-3/h4-7,12-14H,8-11H2,1-3H3