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

Systemtic Name: 2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]phenyl]acetonitrile CAS Name: 2-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]phenyl]acetonitrile Traditional Name: 2-[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenoxy]phenyl]acetonitrile Formula: C20H21N3O5S MolecularWeight: 415.46284

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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)CC#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-15-9-12-22(13-10-15)29(26,27)18-6-7-20(19(14-18)23(24)25)28-17-4-2-16(3-5-17)8-11-21/h2-7,14-15H,8-10,12-13H2,1H3