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

Systemtic Name: N,N-diethyl-3-nitro-4-[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]oxy-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]oxybenzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]oxybenzenesulfonamide Traditional Name: N,N-diethyl-4-[(1R)-2-keto-1-methyl-2-pyrrolidino-ethoxy]-3-nitro-benzenesulfonamide Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC(C)C(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O[C@H](C)C(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6S/c1-4-19(5-2)27(24,25)14-8-9-16(15(12-14)20(22)23)26-13(3)17(21)18-10-6-7-11-18/h8-9,12-13H,4-7,10-11H2,1-3H3/t13-/m1/s1