5-[(E)-pent-1-enyl]-3-(phenylsulfonylamino)-1-sulfonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 5-[(E)-pent-1-enyl]-3-(phenylsulfonylamino)-1-sulfonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 3-(benzenesulfonamido)-5-[(E)-pent-1-enyl]-1-sulfonyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 3-(benzenesulfonamido)-5-[(E)-pent-1-enyl]-1-sulfonyl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 3-(benzenesulfonamido)-5-[(E)-pent-1-enyl]-1-sulfonylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 3-(benzenesulfonamido)-5-[(E)-pent-1-enyl]-1-sulfonyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C16H21N2O6S2+ MolecularWeight: 401.47774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1CC(C([N+]1=S(=O)=O)C(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC/C=C/C1CC(C([N+]1=S(=O)=O)C(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O6S2/c1-2-3-5-8-12-11-14(15(16(19)20)18(12)25(21)22)17-26(23,24)13-9-6-4-7-10-13/h4-10,12,14-15,17H,2-3,11H2,1H3/p+1/b8-5+