[2-[(butan-2-ylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-[(butan-2-ylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[(sec-butylamino)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[(butan-2-ylamino)methyl]phenyl] ester IUPAC Name: [2-[(butan-2-ylamino)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[(sec-butylamino)methyl]phenyl] ester Formula: C17H20FNO3S MolecularWeight: 337.409003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(C)NCC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H20FNO3S/c1-3-13(2)19-12-14-6-4-5-7-17(14)22-23(20,21)16-10-8-15(18)9-11-16/h4-11,13,19H,3,12H2,1-2H3