[4-[[2-methylpropyl(phenylsulfonyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[2-methylpropyl(phenylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzenesulfonyl(isobutyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[benzenesulfonyl(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzenesulfonyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[besyl(isobutyl)amino]methyl]phenyl] ester Formula: C18H23NO5S2 MolecularWeight: 397.50892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5S2/c1-15(2)13-19(26(22,23)18-7-5-4-6-8-18)14-16-9-11-17(12-10-16)24-25(3,20)21/h4-12,15H,13-14H2,1-3H3