3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzenecarbonitrile

Systemtic Name: 3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzenecarbonitrile Openeye Name: 3-methoxy-4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]benzonitrile CAS Name: 3-methoxy-4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]benzonitrile IUPAC Name: 3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)benzonitrile Traditional Name: 3-methoxy-4-(2-nitro-4-piperidinosulfonyl-phenoxy)benzonitrile Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S/c1-27-19-11-14(13-20)5-7-18(19)28-17-8-6-15(12-16(17)22(23)24)29(25,26)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3