2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[1-(p-tolylsulfonyl)pyrrolidin-2-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]ethyl ester IUPAC Name: 2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1-tosylpyrrolidin-2-yl)ethyl ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H25NO5S2/c1-16-5-9-19(10-6-16)27(22,23)21-14-3-4-18(21)13-15-26-28(24,25)20-11-7-17(2)8-12-20/h5-12,18H,3-4,13-15H2,1-2H3