[(5R)-5-[(4-methylphenyl)sulfonylamino]octyl] 4-methylbenzenesulfonate

Systemtic Name: [(5R)-5-[(4-methylphenyl)sulfonylamino]octyl] 4-methylbenzenesulfonate Openeye Name: [(5R)-5-(p-tolylsulfonylamino)octyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(5R)-5-[(4-methylphenyl)sulfonylamino]octyl] ester IUPAC Name: [(5R)-5-[(4-methylphenyl)sulfonylamino]octyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(5R)-5-(tosylamino)octyl] ester Formula: C22H31NO5S2 MolecularWeight: 453.61524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCOS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC[C@H](CCCCOS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H31NO5S2/c1-4-7-20(23-29(24,25)21-13-9-18(2)10-14-21)8-5-6-17-28-30(26,27)22-15-11-19(3)12-16-22/h9-16,20,23H,4-8,17H2,1-3H3/t20-/m1/s1