methyl 4-[(4-methylphenyl)sulfonyl-pyrrolidin-2-yl-methyl]benzenesulfonate

Systemtic Name: methyl 4-[(4-methylphenyl)sulfonyl-pyrrolidin-2-yl-methyl]benzenesulfonate Openeye Name: methyl 4-[p-tolylsulfonyl(pyrrolidin-2-yl)methyl]benzenesulfonate CAS Name: 4-[(4-methylphenyl)sulfonyl-(2-pyrrolidinyl)methyl]benzenesulfonic acid methyl ester IUPAC Name: methyl 4-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylmethyl]benzenesulfonate Traditional Name: 4-[pyrrolidin-2-yl(tosyl)methyl]benzenesulfonic acid methyl ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2CCCN2)C3=CC=C(C=C3)S(=O)(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2CCCN2)C3=CC=C(C=C3)S(=O)(=O)OC

InChI

InChI=1S/C19H23NO5S2/c1-14-5-9-16(10-6-14)26(21,22)19(18-4-3-13-20-18)15-7-11-17(12-8-15)27(23,24)25-2/h5-12,18-20H,3-4,13H2,1-2H3