[1-methyl-5-[[(4-methylphenyl)sulfonylamino]methyl]pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [1-methyl-5-[[(4-methylphenyl)sulfonylamino]methyl]pyrrolidin-3-yl] methanesulfonate Openeye Name: [1-methyl-5-[(p-tolylsulfonylamino)methyl]pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [1-methyl-5-[[(4-methylphenyl)sulfonylamino]methyl]-3-pyrrolidinyl] ester IUPAC Name: [1-methyl-5-[[(4-methylphenyl)sulfonylamino]methyl]pyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-methyl-5-[(tosylamino)methyl]pyrrolidin-3-yl] ester Formula: C14H22N2O5S2 MolecularWeight: 362.46488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CC(CN2C)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CC(CN2C)OS(=O)(=O)C

InChI

InChI=1S/C14H22N2O5S2/c1-11-4-6-14(7-5-11)23(19,20)15-9-12-8-13(10-16(12)2)21-22(3,17)18/h4-7,12-13,15H,8-10H2,1-3H3