(2R,6R)-4-[2-(azepan-1-yl)-5-nitro-phenyl]sulfonyl-2,6-dimethyl-morpholine

Systemtic Name: (2R,6R)-4-[2-(azepan-1-yl)-5-nitro-phenyl]sulfonyl-2,6-dimethyl-morpholine Openeye Name: (2R,6R)-4-[2-(azepan-1-yl)-5-nitro-phenyl]sulfonyl-2,6-dimethyl-morpholine CAS Name: (2R,6R)-4-[2-(1-azepanyl)-5-nitrophenyl]sulfonyl-2,6-dimethylmorpholine IUPAC Name: (2R,6R)-4-[2-(azepan-1-yl)-5-nitrophenyl]sulfonyl-2,6-dimethylmorpholine Traditional Name: (2R,6R)-4-[2-(azepan-1-yl)-5-nitro-phenyl]sulfonyl-2,6-dimethyl-morpholine Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C18H27N3O5S/c1-14-12-20(13-15(2)26-14)27(24,25)18-11-16(21(22)23)7-8-17(18)19-9-5-3-4-6-10-19/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3/t14-,15-/m1/s1