2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]ethanenitrile

Systemtic Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]ethanenitrile Openeye Name: 2-[4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]phenyl]acetonitrile IUPAC Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)phenyl]acetonitrile Traditional Name: 2-[4-(2-nitro-4-piperidinosulfonyl-phenoxy)phenyl]acetonitrile Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c20-11-10-15-4-6-16(7-5-15)27-19-9-8-17(14-18(19)22(23)24)28(25,26)21-12-2-1-3-13-21/h4-9,14H,1-3,10,12-13H2