[3-[[butan-2-yl-(4-fluorophenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[butan-2-yl-(4-fluorophenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-fluorophenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-(4-fluorophenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(4-fluorophenyl)sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-fluorophenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ester Formula: C19H24FNO5S2 MolecularWeight: 429.525963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FNO5S2/c1-4-15(3)21(28(24,25)19-11-9-17(20)10-12-19)14-16-7-6-8-18(13-16)26-27(22,23)5-2/h6-13,15H,4-5,14H2,1-3H3