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

Systemtic Name: 4-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]phenyl]benzonitrile IUPAC Name: 4-[4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)phenyl]benzonitrile Traditional Name: 4-[4-(2-nitro-4-piperidinosulfonyl-phenoxy)phenyl]benzonitrile Formula: C24H21N3O5S MolecularWeight: 463.50564

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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)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5S/c25-17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)32-24-13-12-22(16-23(24)27(28)29)33(30,31)26-14-2-1-3-15-26/h4-13,16H,1-3,14-15H2