(E)-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enoic acid Openeye Name: (E)-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enoic acid CAS Name: (E)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(4-pyrrolidinosulfonylphenyl)acrylic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4S/c15-13(16)8-5-11-3-6-12(7-4-11)19(17,18)14-9-1-2-10-14/h3-8H,1-2,9-10H2,(H,15,16)/b8-5+