[(2S)-5-heptyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S)-5-heptyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S)-5-heptyl-1-(p-tolylsulfonyl)pyrrolidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-5-heptyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S)-5-heptyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-5-heptyl-1-tosyl-pyrrolidin-2-yl]methyl ester Formula: C26H37NO5S2 MolecularWeight: 507.70568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCC1CC[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H37NO5S2/c1-4-5-6-7-8-9-23-14-15-24(20-32-34(30,31)26-18-12-22(3)13-19-26)27(23)33(28,29)25-16-10-21(2)11-17-25/h10-13,16-19,23-24H,4-9,14-15,20H2,1-3H3/t23?,24-/m0/s1