3-[(4-chlorophenyl)sulfonylamino]-5-[(E)-pent-1-enyl]-1-sulfonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 3-[(4-chlorophenyl)sulfonylamino]-5-[(E)-pent-1-enyl]-1-sulfonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)sulfonylamino]-5-[(E)-pent-1-enyl]-1-sulfonyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 3-[(4-chlorophenyl)sulfonylamino]-5-[(E)-pent-1-enyl]-1-sulfonyl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)sulfonylamino]-5-[(E)-pent-1-enyl]-1-sulfonylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]-5-[(E)-pent-1-enyl]-1-sulfonyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C16H20ClN2O6S2+ MolecularWeight: 435.9228

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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=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O6S2/c1-2-3-4-5-12-10-14(15(16(20)21)19(12)26(22)23)18-27(24,25)13-8-6-11(17)7-9-13/h4-9,12,14-15,18H,2-3,10H2,1H3/p+1/b5-4+