[3-[[butan-2-yl(methylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[butan-2-yl(methylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[methylsulfonyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl(methylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(methylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[mesyl(sec-butyl)amino]methyl]phenyl] ester Formula: C14H23NO5S2 MolecularWeight: 349.46612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO5S2/c1-5-12(3)15(21(4,16)17)11-13-8-7-9-14(10-13)20-22(18,19)6-2/h7-10,12H,5-6,11H2,1-4H3