[3-[[(4-tert-butylphenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(4-tert-butylphenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-tert-butylphenyl)sulfonyl-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(4-tert-butylphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-tert-butylphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-tert-butylphenyl)sulfonyl-isopropyl-amino]methyl]phenyl] ester Formula: C26H30FNO5S2 MolecularWeight: 519.648503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H30FNO5S2/c1-19(2)28(34(29,30)24-13-9-21(10-14-24)26(3,4)5)18-20-7-6-8-23(17-20)33-35(31,32)25-15-11-22(27)12-16-25/h6-17,19H,18H2,1-5H3