ethanedioic acid; 1-(oxolan-2-ylmethoxy)-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-ol

Systemtic Name: ethanedioic acid; 1-(oxolan-2-ylmethoxy)-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-3-(tetrahydrofuran-2-ylmethoxy)propan-2-ol; oxalic acid CAS Name: oxalic acid; 1-(2-oxolanylmethoxy)-3-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]-2-propanol IUPAC Name: oxalic acid; 1-(oxolan-2-ylmethoxy)-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-ol Traditional Name: oxalic acid; 1-(4-p-cumenylsulfonylpiperazino)-3-(tetrahydrofurfuryloxy)propan-2-ol Formula: C23H36N2O9S MolecularWeight: 516.60494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COCC3CCCO3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COCC3CCCO3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H34N2O5S.C2H2O4/c1-17(2)18-5-7-21(8-6-18)29(25,26)23-11-9-22(10-12-23)14-19(24)15-27-16-20-4-3-13-28-20;3-1(4)2(5)6/h5-8,17,19-20,24H,3-4,9-16H2,1-2H3;(H,3,4)(H,5,6)