4-[4-(dimethylamino)-1-phosphanyloxy-butan-2-yl]oxy-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(dimethylamino)-1-phosphanyloxy-butan-2-yl]oxy-3-nitro-benzenesulfonamide Openeye Name: 4-[3-(dimethylamino)-1-(phosphanyloxymethyl)propoxy]-3-nitro-benzenesulfonamide CAS Name: 4-[4-(dimethylamino)-1-phosphinooxybutan-2-yl]oxy-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(dimethylamino)-1-phosphanyloxybutan-2-yl]oxy-3-nitrobenzenesulfonamide Traditional Name: 4-[3-(dimethylamino)-1-(phosphinooxymethyl)propoxy]-3-nitro-benzenesulfonamide Formula: C12H20N3O6PS MolecularWeight: 365.342461

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(COP)OC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC(COP)OC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H20N3O6PS/c1-14(2)6-5-9(8-20-22)21-12-4-3-10(23(13,18)19)7-11(12)15(16)17/h3-4,7,9H,5-6,8,22H2,1-2H3,(H2,13,18,19)