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

Systemtic Name: [4-[[butyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ester Formula: C19H25NO6S2 MolecularWeight: 427.5349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6S2/c1-4-5-14-20(28(23,24)19-12-10-17(25-2)11-13-19)15-16-6-8-18(9-7-16)26-27(3,21)22/h6-13H,4-5,14-15H2,1-3H3