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

Systemtic Name: 1-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]phenyl]ethanone CAS Name: 1-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]phenyl]ethanone Traditional Name: 1-[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenoxy]phenyl]ethanone Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-14-9-11-21(12-10-14)29(26,27)18-7-8-20(19(13-18)22(24)25)28-17-5-3-16(4-6-17)15(2)23/h3-8,13-14H,9-12H2,1-2H3