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

Systemtic Name: 2-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzenecarbonitrile Openeye Name: 2-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]benzonitrile CAS Name: 2-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]benzonitrile IUPAC Name: 2-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)benzonitrile Traditional Name: 2-(2-nitro-4-piperidinosulfonyl-phenoxy)benzonitrile Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c19-13-14-6-2-3-7-17(14)26-18-9-8-15(12-16(18)21(22)23)27(24,25)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2