ethanedioic acid; 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

Systemtic Name: ethanedioic acid; 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol Openeye Name: 1-tert-butoxy-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-2-ol; oxalic acid CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-[(2-methylpropan-2-yl)oxy]-2-propanol; oxalic acid IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol; oxalic acid Traditional Name: 1-tert-butoxy-3-(4-tosylpiperazino)propan-2-ol; oxalic acid Formula: C20H32N2O8S MolecularWeight: 460.54168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC(C)(C)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC(C)(C)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H30N2O4S.C2H2O4/c1-15-5-7-17(8-6-15)25(22,23)20-11-9-19(10-12-20)13-16(21)14-24-18(2,3)4;3-1(4)2(5)6/h5-8,16,21H,9-14H2,1-4H3;(H,3,4)(H,5,6)