(E)-but-2-enedioic acid; N-[2-(phenylsulfonyl)ethyl]-2-pyrrolidin-1-yl-ethanamine

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(phenylsulfonyl)ethyl]-2-pyrrolidin-1-yl-ethanamine Openeye Name: N-[2-(benzenesulfonyl)ethyl]-2-pyrrolidin-1-yl-ethanamine; fumaric acid CAS Name: N-[2-(benzenesulfonyl)ethyl]-2-(1-pyrrolidinyl)ethanamine; (E)-2-butenedioic acid IUPAC Name: N-[2-(benzenesulfonyl)ethyl]-2-pyrrolidin-1-ylethanamine; (E)-but-2-enedioic acid Traditional Name: 2-besylethyl(2-pyrrolidinoethyl)amine; fumaric acid Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNCCS(=O)(=O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)CCNCCS(=O)(=O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H22N2O2S.C4H4O4/c17-19(18,14-6-2-1-3-7-14)13-9-15-8-12-16-10-4-5-11-16;5-3(6)1-2-4(7)8/h1-3,6-7,15H,4-5,8-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+