3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propanoic acid

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propanoic acid Openeye Name: 3-[1-(p-tolylsulfonyl)pyrrolidin-2-yl]propanoic acid CAS Name: 3-[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]propanoic acid IUPAC Name: 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propanoic acid Traditional Name: 3-(1-tosylpyrrolidin-2-yl)propionic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CCC(=O)O

InChI

InChI=1S/C14H19NO4S/c1-11-4-7-13(8-5-11)20(18,19)15-10-2-3-12(15)6-9-14(16)17/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,16,17)