(E)-but-2-enedioic acid; 2-morpholin-4-yl-N-[2-(phenylsulfonyl)ethyl]ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-morpholin-4-yl-N-[2-(phenylsulfonyl)ethyl]ethanamine Openeye Name: N-[2-(benzenesulfonyl)ethyl]-2-morpholino-ethanamine; fumaric acid CAS Name: N-[2-(benzenesulfonyl)ethyl]-2-(4-morpholinyl)ethanamine; (E)-2-butenedioic acid IUPAC Name: N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine; (E)-but-2-enedioic acid Traditional Name: 2-besylethyl(2-morpholinoethyl)amine; fumaric acid Formula: C18H26N2O7S MolecularWeight: 414.47324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNCCS(=O)(=O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1CCNCCS(=O)(=O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H22N2O3S.C4H4O4/c17-20(18,14-4-2-1-3-5-14)13-7-15-6-8-16-9-11-19-12-10-16;5-3(6)1-2-4(7)8/h1-5,15H,6-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+