4-[2-(azepan-1-yl)-5-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[2-(azepan-1-yl)-5-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[2-(azepan-1-yl)-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[2-(1-azepanyl)-5-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[2-(azepan-1-yl)-5-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[2-(azepan-1-yl)-5-nitro-phenyl]sulfonylmorpholine Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H23N3O5S/c20-19(21)14-5-6-15(17-7-3-1-2-4-8-17)16(13-14)25(22,23)18-9-11-24-12-10-18/h5-6,13H,1-4,7-12H2