3-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-[2-(1-pyrrolidinyl)ethylsulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(2-pyrrolidinoethylsulfonyl)phenyl]propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c17-15(18)8-5-13-3-6-14(7-4-13)21(19,20)12-11-16-9-1-2-10-16/h3-4,6-7H,1-2,5,8-12H2,(H,17,18)