[(3R,4R)-1-(4-methylphenyl)sulfonyl-4-pentyl-pyrrolidin-3-yl] ethanoate

Systemtic Name: [(3R,4R)-1-(4-methylphenyl)sulfonyl-4-pentyl-pyrrolidin-3-yl] ethanoate Openeye Name: [(3R,4R)-4-pentyl-1-(p-tolylsulfonyl)pyrrolidin-3-yl] acetate CAS Name: acetic acid [(3R,4R)-1-(4-methylphenyl)sulfonyl-4-pentyl-3-pyrrolidinyl] ester IUPAC Name: [(3R,4R)-1-(4-methylphenyl)sulfonyl-4-pentylpyrrolidin-3-yl] acetate Traditional Name: acetic acid [(3R,4R)-4-amyl-1-tosyl-pyrrolidin-3-yl] ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CN(CC1OC(=O)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC[C@@H]1CN(C[C@@H]1OC(=O)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H27NO4S/c1-4-5-6-7-16-12-19(13-18(16)23-15(3)20)24(21,22)17-10-8-14(2)9-11-17/h8-11,16,18H,4-7,12-13H2,1-3H3/t16-,18+/m1/s1