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

Systemtic Name: [4-[[3-methylbutyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl(p-tolylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl-(4-methylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl-(4-methylphenyl)sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(tosyl)amino]methyl]phenyl] ester Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(C)C)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(C)C)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C20H27NO5S2/c1-16(2)13-14-21(28(24,25)20-11-5-17(3)6-12-20)15-18-7-9-19(10-8-18)26-27(4,22)23/h5-12,16H,13-15H2,1-4H3