2-(4-methylsulfonylphenyl)-2-pyrrolidin-1-yl-propanoic acid

Systemtic Name: 2-(4-methylsulfonylphenyl)-2-pyrrolidin-1-yl-propanoic acid Openeye Name: 2-(4-methylsulfonylphenyl)-2-pyrrolidin-1-yl-propanoic acid CAS Name: 2-(4-methylsulfonylphenyl)-2-(1-pyrrolidinyl)propanoic acid IUPAC Name: 2-(4-methylsulfonylphenyl)-2-pyrrolidin-1-ylpropanoic acid Traditional Name: 2-(4-mesylphenyl)-2-pyrrolidino-propionic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)(C(=O)O)N2CCCC2

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)(C(=O)O)N2CCCC2

InChI

InChI=1S/C14H19NO4S/c1-14(13(16)17,15-9-3-4-10-15)11-5-7-12(8-6-11)20(2,18)19/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)