(E)-but-2-enedioic acid; 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone Openeye Name: fumaric acid; 1-(4-morpholinosulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone CAS Name: (E)-2-butenedioic acid; 1-[4-(4-morpholinylsulfonyl)phenyl]-2-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: (E)-but-2-enedioic acid; 1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanone Traditional Name: fumaric acid; 1-(4-morpholinosulfonylphenyl)-2-(4-phenylpiperazino)ethanone Formula: C26H31N3O8S MolecularWeight: 545.60464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H27N3O4S.C4H4O4/c26-22(18-23-10-12-24(13-11-23)20-4-2-1-3-5-20)19-6-8-21(9-7-19)30(27,28)25-14-16-29-17-15-25;5-3(6)1-2-4(7)8/h1-9H,10-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+