[4-[(butan-2-ylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-[(butan-2-ylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[(sec-butylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[(butan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-[(butan-2-ylamino)methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[(sec-butylamino)methyl]phenyl] ester Formula: C18H20F3NO3S MolecularWeight: 387.41651

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCC(C)NCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H20F3NO3S/c1-3-13(2)22-12-14-7-9-16(10-8-14)25-26(23,24)17-6-4-5-15(11-17)18(19,20)21/h4-11,13,22H,3,12H2,1-2H3