(E)-3-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-pyrrolidin-1-ium-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-pyrrolidin-1-ium-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-pyrrolidin-1-ium-2-yl]prop-2-enoic acid CAS Name: (E)-3-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-2-pyrrolidin-1-iumyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonylpyrrolidin-1-ium-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-pyrrolidin-1-ium-2-yl]acrylic acid Formula: C13H14ClN2O6S2+ MolecularWeight: 393.84306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O6S2/c14-9-1-4-12(5-2-9)24(21,22)15-10-7-11(3-6-13(17)18)16(8-10)23(19)20/h1-6,10-11,15H,7-8H2/p+1/b6-3+