1-(2,6-dimethylmorpholin-4-yl)-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(2,6-dimethylmorpholin-4-yl)-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-(2,6-dimethylmorpholin-4-yl)-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol; oxalic acid CAS Name: 1-(2,6-dimethyl-4-morpholinyl)-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-2-propanol; oxalic acid IUPAC Name: 1-(2,6-dimethylmorpholin-4-yl)-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(2,6-dimethylmorpholino)-3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propan-2-ol; oxalic acid Formula: C21H31N3O11S MolecularWeight: 533.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)CC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CN(CC(O1)C)CC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O7S.C2H2O4/c1-14-10-20(11-15(2)29-14)12-16(23)13-28-19-6-5-17(9-18(19)22(24)25)30(26,27)21-7-3-4-8-21;3-1(4)2(5)6/h5-6,9,14-16,23H,3-4,7-8,10-13H2,1-2H3;(H,3,4)(H,5,6)