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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzenecarbonitrile Openeye Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzonitrile CAS Name: 4-[4-(1-azepanylsulfonyl)-2-nitrophenoxy]benzonitrile IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitrophenoxy]benzonitrile Traditional Name: 4-[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=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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