[5-[[(4-tert-butylphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(4-tert-butylphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(4-tert-butylphenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-tert-butylbenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C28H32FNO5S MolecularWeight: 513.620783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32FNO5S/c1-19(2)30(27(31)21-8-10-22(11-9-21)28(3,4)5)18-20-7-16-25(34-6)26(17-20)35-36(32,33)24-14-12-23(29)13-15-24/h7-17,19H,18H2,1-6H3