4-[(E)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-keto-3-(4-pyrrolidinosulfonylphenyl)prop-1-enyl]benzoic acid Formula: C20H19NO5S MolecularWeight: 385.43356

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5S/c22-19(12-5-15-3-6-17(7-4-15)20(23)24)16-8-10-18(11-9-16)27(25,26)21-13-1-2-14-21/h3-12H,1-2,13-14H2,(H,23,24)/b12-5+