(E)-3-[4-methoxy-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-methoxy-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-methoxy-3-[4-(2-oxopyrrolidin-1-yl)phenoxy]sulfonyl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-methoxy-3-[4-(2-oxo-1-pyrrolidinyl)phenoxy]sulfonylphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-methoxy-3-[4-(2-oxopyrrolidin-1-yl)phenoxy]sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[4-(2-ketopyrrolidino)phenoxy]sulfonyl-4-methoxy-phenyl]acrylic acid Formula: C20H19NO7S MolecularWeight: 417.43236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)OC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)OC2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C20H19NO7S/c1-27-17-10-4-14(5-11-20(23)24)13-18(17)29(25,26)28-16-8-6-15(7-9-16)21-12-2-3-19(21)22/h4-11,13H,2-3,12H2,1H3,(H,23,24)/b11-5+