2-[hexyl-(4-methylphenyl)sulfonyl-amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[hexyl-(4-methylphenyl)sulfonyl-amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[hexyl(p-tolylsulfonyl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[hexyl-(4-methylphenyl)sulfonylamino]ethyl ester IUPAC Name: 2-[hexyl-(4-methylphenyl)sulfonylamino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[hexyl(tosyl)amino]ethyl ester Formula: C22H31NO5S2 MolecularWeight: 453.61524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCN(CCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H31NO5S2/c1-4-5-6-7-16-23(29(24,25)21-12-8-19(2)9-13-21)17-18-28-30(26,27)22-14-10-20(3)11-15-22/h8-15H,4-7,16-18H2,1-3H3