(E)-6-[4-(phenylsulfonylamino)-1-sulfonyl-pyrrolidin-1-ium-2-yl]hex-5-enoic acid

Systemtic Name: (E)-6-[4-(phenylsulfonylamino)-1-sulfonyl-pyrrolidin-1-ium-2-yl]hex-5-enoic acid Openeye Name: (E)-6-[4-(benzenesulfonamido)-1-sulfonyl-pyrrolidin-1-ium-2-yl]hex-5-enoic acid CAS Name: (E)-6-[4-(benzenesulfonamido)-1-sulfonyl-2-pyrrolidin-1-iumyl]-5-hexenoic acid IUPAC Name: (E)-6-[4-(benzenesulfonamido)-1-sulfonylpyrrolidin-1-ium-2-yl]hex-5-enoic acid Traditional Name: (E)-6-[4-(benzenesulfonamido)-1-sulfonyl-pyrrolidin-1-ium-2-yl]hex-5-enoic acid Formula: C16H21N2O6S2+ MolecularWeight: 401.47774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C[N+](=S(=O)=O)C1C=CCCCC(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1C(C[N+](=S(=O)=O)C1/C=C/CCCC(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O6S2/c19-16(20)10-6-1-3-7-14-11-13(12-18(14)25(21)22)17-26(23,24)15-8-4-2-5-9-15/h2-5,7-9,13-14,17H,1,6,10-12H2/p+1/b7-3+