ethanedioic acid; ethyl 4-[4-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethanedioic acid; ethyl 4-[4-[3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[3-(3-acetylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]sulfonylbenzoate; oxalic acid CAS Name: 4-[[4-[3-(3-acetylphenoxy)-2-hydroxypropyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[4-[3-(3-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl]sulfonylbenzoate; oxalic acid Traditional Name: 4-[4-[3-(3-acetylphenoxy)-2-hydroxy-propyl]piperazino]sulfonylbenzoic acid ethyl ester; oxalic acid Formula: C26H32N2O11S MolecularWeight: 580.60408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=CC(=C3)C(=O)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=CC(=C3)C(=O)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30N2O7S.C2H2O4/c1-3-32-24(29)19-7-9-23(10-8-19)34(30,31)26-13-11-25(12-14-26)16-21(28)17-33-22-6-4-5-20(15-22)18(2)27;3-1(4)2(5)6/h4-10,15,21,28H,3,11-14,16-17H2,1-2H3;(H,3,4)(H,5,6)