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1,4-bis-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid

1,4-bis-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name:1,4-bis-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
Openeye Name:1,4-bis(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid
CAS Name:1,4-bis-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid
IUPAC Name:1,4-bis-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
Traditional Name:1,4-ditosylproline
Formula: C19H21NO6S2
MolecularWeight: 423.50314
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O


InChI

InChI=1S/C19H21NO6S2/c1-13-3-7-15(8-4-13)27(23,24)17-11-18(19(21)22)20(12-17)28(25,26)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3,(H,21,22)


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