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

Systemtic Name: 2-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]benzenecarbonitrile Openeye Name: 2-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]benzonitrile CAS Name: 2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]benzonitrile IUPAC Name: 2-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]benzonitrile Traditional Name: 2-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenoxy]benzonitrile Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c1-14-8-10-21(11-9-14)28(25,26)16-6-7-19(17(12-16)22(23)24)27-18-5-3-2-4-15(18)13-20/h2-7,12,14H,8-11H2,1H3