[4-[[3-methylbutyl(phenylsulfonyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutyl(phenylsulfonyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzenesulfonyl(isopentyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[benzenesulfonyl(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzenesulfonyl(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[besyl(isoamyl)amino]methyl]phenyl] ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5S2/c1-16(2)13-14-20(27(23,24)19-7-5-4-6-8-19)15-17-9-11-18(12-10-17)25-26(3,21)22/h4-12,16H,13-15H2,1-3H3