[3-[[2-methylpropyl(phenylsulfonyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[2-methylpropyl(phenylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[benzenesulfonyl(isobutyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[benzenesulfonyl(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[benzenesulfonyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[besyl(isobutyl)amino]methyl]phenyl] ester Formula: C18H23NO5S2 MolecularWeight: 397.50892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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