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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c20-14-15-7-3-4-8-18(15)27-19-10-9-16(13-17(19)22(23)24)28(25,26)21-11-5-1-2-6-12-21/h3-4,7-10,13H,1-2,5-6,11-12H2