N,N-diethyl-3-nitro-4-[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]oxy-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]oxy-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl]oxybenzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzenesulfonamide Traditional Name: N,N-diethyl-4-[(1R)-2-keto-1-methyl-2-piperidino-ethoxy]-3-nitro-benzenesulfonamide Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC(C)C(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O[C@H](C)C(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O6S/c1-4-20(5-2)28(25,26)15-9-10-17(16(13-15)21(23)24)27-14(3)18(22)19-11-7-6-8-12-19/h9-10,13-14H,4-8,11-12H2,1-3H3/t14-/m1/s1