3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoic acid

Systemtic Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoic acid Openeye Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoic acid CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoic acid Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)propionic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c15-13(16)8-5-11-3-6-12(7-4-11)19(17,18)14-9-1-2-10-14/h3-4,6-7H,1-2,5,8-10H2,(H,15,16)