2-[4-[(E)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[4-[(E)-3-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]prop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-keto-3-(4-pyrrolidinosulfonylphenyl)prop-1-enyl]phenoxy]acetic acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C21H21NO6S/c23-20(12-5-16-3-8-18(9-4-16)28-15-21(24)25)17-6-10-19(11-7-17)29(26,27)22-13-1-2-14-22/h3-12H,1-2,13-15H2,(H,24,25)/b12-5+