ethanedioic acid; 1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol Openeye Name: 1-(2-isopropylphenoxy)-3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol; oxalic acid CAS Name: 1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-3-(2-propan-2-ylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(2-isopropylphenoxy)-3-(4-nosylpiperazino)propan-2-ol; oxalic acid Formula: C24H31N3O10S MolecularWeight: 553.58204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O6S.C2H2O4/c1-17(2)21-5-3-4-6-22(21)31-16-19(26)15-23-11-13-24(14-12-23)32(29,30)20-9-7-18(8-10-20)25(27)28;3-1(4)2(5)6/h3-10,17,19,26H,11-16H2,1-2H3;(H,3,4)(H,5,6)