3-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzenecarbonitrile

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzenecarbonitrile Openeye Name: 3-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzonitrile CAS Name: 3-[4-(1-azepanylsulfonyl)-2-nitrophenoxy]benzonitrile IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)-2-nitrophenoxy]benzonitrile Traditional Name: 3-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzonitrile Formula: C19H19N3O5S MolecularWeight: 401.43626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c20-14-15-6-5-7-16(12-15)27-19-9-8-17(13-18(19)22(23)24)28(25,26)21-10-3-1-2-4-11-21/h5-9,12-13H,1-4,10-11H2