ethanedioic acid; 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: ethanedioic acid; 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone; oxalic acid CAS Name: 2-(4-methoxyphenoxy)-1-(4-propylsulfonyl-1-piperazinyl)ethanone; oxalic acid IUPAC Name: 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazino)ethanone; oxalic acid Formula: C18H26N2O9S MolecularWeight: 446.47204

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O5S.C2H2O4/c1-3-12-24(20,21)18-10-8-17(9-11-18)16(19)13-23-15-6-4-14(22-2)5-7-15;3-1(4)2(5)6/h4-7H,3,8-13H2,1-2H3;(H,3,4)(H,5,6)