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

Systemtic Name: 3-chloranyl-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzenecarbonitrile Openeye Name: 3-chloro-4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]benzonitrile CAS Name: 3-chloro-4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]benzonitrile IUPAC Name: 3-chloro-4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)benzonitrile Traditional Name: 3-chloro-4-(2-nitro-4-piperidinosulfonyl-phenoxy)benzonitrile Formula: C18H16ClN3O5S MolecularWeight: 421.85474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O5S/c19-15-10-13(12-20)4-6-17(15)27-18-7-5-14(11-16(18)22(23)24)28(25,26)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2