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

Systemtic Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-pyrrolidin-1-ium-2-yl]hex-5-enoic acid Openeye Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-pyrrolidin-1-ium-2-yl]hex-5-enoic acid CAS Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-2-pyrrolidin-1-iumyl]-5-hexenoic acid IUPAC Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonylpyrrolidin-1-ium-2-yl]hex-5-enoic acid Traditional Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-pyrrolidin-1-ium-2-yl]hex-5-enoic acid Formula: C16H20ClN2O6S2+ MolecularWeight: 435.9228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O6S2/c17-12-6-8-15(9-7-12)27(24,25)18-13-10-14(19(11-13)26(22)23)4-2-1-3-5-16(20)21/h2,4,6-9,13-14,18H,1,3,5,10-11H2/p+1/b4-2+