[4-[[butyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl(p-tolylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-(4-methylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-(4-methylphenyl)sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl(tosyl)amino]methyl]phenyl] ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H25NO5S2/c1-4-5-14-20(27(23,24)19-12-6-16(2)7-13-19)15-17-8-10-18(11-9-17)25-26(3,21)22/h6-13H,4-5,14-15H2,1-3H3