4-azanyloxy-3-nitro-N,N-bis[2-(oxan-2-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-azanyloxy-3-nitro-N,N-bis[2-(oxan-2-yl)ethyl]benzenesulfonamide Openeye Name: 4-aminooxy-3-nitro-N,N-bis(2-tetrahydropyran-2-ylethyl)benzenesulfonamide CAS Name: 4-aminooxy-3-nitro-N,N-bis[2-(2-oxanyl)ethyl]benzenesulfonamide IUPAC Name: 4-aminooxy-3-nitro-N,N-bis[2-(oxan-2-yl)ethyl]benzenesulfonamide Traditional Name: 4-aminooxy-3-nitro-N,N-bis(2-tetrahydropyran-2-ylethyl)benzenesulfonamide Formula: C20H31N3O7S MolecularWeight: 457.54104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CCN(CCC2CCCCO2)S(=O)(=O)C3=CC(=C(C=C3)ON)[N+](=O)[O-]

Isomeric SMILES

C1CCOC(C1)CCN(CCC2CCCCO2)S(=O)(=O)C3=CC(=C(C=C3)ON)[N+](=O)[O-]

InChI

InChI=1S/C20H31N3O7S/c21-30-20-8-7-18(15-19(20)23(24)25)31(26,27)22(11-9-16-5-1-3-13-28-16)12-10-17-6-2-4-14-29-17/h7-8,15-17H,1-6,9-14,21H2