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

Systemtic Name: 4-[4-(dimethylamino)-1-oxidanyl-butan-2-yl]oxy-3-nitro-benzenesulfonamide Openeye Name: 4-[3-(dimethylamino)-1-(hydroxymethyl)propoxy]-3-nitro-benzenesulfonamide CAS Name: 4-[4-(dimethylamino)-1-hydroxybutan-2-yl]oxy-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(dimethylamino)-1-hydroxybutan-2-yl]oxy-3-nitrobenzenesulfonamide Traditional Name: 4-[3-(dimethylamino)-1-methylol-propoxy]-3-nitro-benzenesulfonamide Formula: C12H19N3O6S MolecularWeight: 333.36076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O6S/c1-14(2)6-5-9(8-16)21-12-4-3-10(22(13,19)20)7-11(12)15(17)18/h3-4,7,9,16H,5-6,8H2,1-2H3,(H2,13,19,20)