[4-[[[(2S)-2-chloranylpropanoyl]-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[[(2S)-2-chloranylpropanoyl]-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[[(2S)-2-chloropropanoyl]-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(2S)-2-chloro-1-oxopropyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-2-chloropropanoyl]-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[[(2S)-2-chloropropanoyl]-isopropyl-amino]methyl]phenyl] ester Formula: C19H21ClFNO4S MolecularWeight: 413.890743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFNO4S/c1-13(2)22(19(23)14(3)20)12-15-4-8-17(9-5-15)26-27(24,25)18-10-6-16(21)7-11-18/h4-11,13-14H,12H2,1-3H3/t14-/m0/s1