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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(4-methylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[[(1S)-1-methylpropyl]-(p-tolylsulfonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-(4-methylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(4-methylphenyl)sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[(1S)-1-methylpropyl]-tosyl-amino]methyl]phenyl] ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H25NO5S2/c1-5-16(3)20(27(23,24)19-12-6-15(2)7-13-19)14-17-8-10-18(11-9-17)25-26(4,21)22/h6-13,16H,5,14H2,1-4H3/t16-/m0/s1