1-(2-methylpropoxy)-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]propan-2-ol

Systemtic Name: 1-(2-methylpropoxy)-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]propan-2-ol Openeye Name: 1-isobutoxy-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)propan-2-ol CAS Name: 1-(2-methylpropoxy)-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]-2-propanol IUPAC Name: 1-(2-methylpropoxy)-3-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)propan-2-ol Traditional Name: 1-isobutoxy-3-(2-nitro-4-pyrrolidinosulfonyl-anilino)propan-2-ol Formula: C17H27N3O6S MolecularWeight: 401.47778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)COCC(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])O

InChI

InChI=1S/C17H27N3O6S/c1-13(2)11-26-12-14(21)10-18-16-6-5-15(9-17(16)20(22)23)27(24,25)19-7-3-4-8-19/h5-6,9,13-14,18,21H,3-4,7-8,10-12H2,1-2H3