(2S,4R)-2-hexyl-4-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidine

Systemtic Name: (2S,4R)-2-hexyl-4-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidine Openeye Name: (2S,4R)-2-hexyl-4-methyl-1-(p-tolylsulfonyl)pyrrolidine CAS Name: (2S,4R)-2-hexyl-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine IUPAC Name: (2S,4R)-2-hexyl-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine Traditional Name: (2S,4R)-2-hexyl-4-methyl-1-tosyl-pyrrolidine Formula: C18H29NO2S MolecularWeight: 323.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(CN1S(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCCCCC[C@H]1C[C@H](CN1S(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C18H29NO2S/c1-4-5-6-7-8-17-13-16(3)14-19(17)22(20,21)18-11-9-15(2)10-12-18/h9-12,16-17H,4-8,13-14H2,1-3H3/t16-,17+/m1/s1