[5-[[butan-2-yl-(4-methylphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[butan-2-yl-(4-methylphenyl)sulfonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[p-tolylsulfonyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[butan-2-yl-(4-methylphenyl)sulfonylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(4-methylphenyl)sulfonylamino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[sec-butyl(tosyl)amino]methyl]phenyl] ester Formula: C20H27NO6S2 MolecularWeight: 441.56148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO6S2/c1-6-16(3)21(29(24,25)18-10-7-15(2)8-11-18)14-17-9-12-19(26-4)20(13-17)27-28(5,22)23/h7-13,16H,6,14H2,1-5H3