(E)-but-2-enedioate; N-[2-(phenylsulfonyl)ethyl]prop-2-en-1-amine

Systemtic Name: (E)-but-2-enedioate; N-[2-(phenylsulfonyl)ethyl]prop-2-en-1-amine Openeye Name: N-[2-(benzenesulfonyl)ethyl]prop-2-en-1-amine; (E)-but-2-enedioate CAS Name: N-[2-(benzenesulfonyl)ethyl]-2-propen-1-amine; (E)-2-butenedioate IUPAC Name: N-[2-(benzenesulfonyl)ethyl]prop-2-en-1-amine; (E)-but-2-enedioate Traditional Name: allyl(2-besylethyl)amine fumarate Formula: C15H17NO6S-2 MolecularWeight: 339.36358

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCCS(=O)(=O)C1=CC=CC=C1.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C=CCNCCS(=O)(=O)C1=CC=CC=C1.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C11H15NO2S.C4H4O4/c1-2-8-12-9-10-15(13,14)11-6-4-3-5-7-11;5-3(6)1-2-4(7)8/h2-7,12H,1,8-10H2;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+