3-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]benzenecarbonitrile

Systemtic Name: 3-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]benzenecarbonitrile Openeye Name: 3-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]benzonitrile CAS Name: 3-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]benzonitrile IUPAC Name: 3-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]benzonitrile Traditional Name: 3-[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(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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