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

Systemtic Name: [(3R,4R)-4-(chloromethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] ethanoate Openeye Name: [(3R,4R)-4-(chloromethyl)-1-(p-tolylsulfonyl)pyrrolidin-3-yl] acetate CAS Name: acetic acid [(3R,4R)-4-(chloromethyl)-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl] ester IUPAC Name: [(3R,4R)-4-(chloromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] acetate Traditional Name: acetic acid [(3R,4R)-4-(chloromethyl)-1-tosyl-pyrrolidin-3-yl] ester Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2)OC(=O)C)CCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]([C@H](C2)OC(=O)C)CCl

InChI

InChI=1S/C14H18ClNO4S/c1-10-3-5-13(6-4-10)21(18,19)16-8-12(7-15)14(9-16)20-11(2)17/h3-6,12,14H,7-9H2,1-2H3/t12-,14+/m1/s1