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

Systemtic Name: 3-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzenecarbonitrile Openeye Name: 3-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]benzonitrile CAS Name: 3-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]benzonitrile IUPAC Name: 3-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)benzonitrile Traditional Name: 3-(2-nitro-4-piperidinosulfonyl-phenoxy)benzonitrile Formula: C18H17N3O5S MolecularWeight: 387.40968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c19-13-14-5-4-6-15(11-14)26-18-8-7-16(12-17(18)21(22)23)27(24,25)20-9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2