4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]morpholine

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]morpholine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]morpholine CAS Name: 4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]morpholine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]morpholine Traditional Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]morpholine Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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