[4-[[(4-phenylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-phenylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isopropyl-(4-phenylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[oxo-(4-phenylphenyl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isopropyl-(4-phenylbenzoyl)amino]methyl]phenyl] ester Formula: C29H26FNO4S MolecularWeight: 503.584443

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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)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H26FNO4S/c1-21(2)31(29(32)25-12-10-24(11-13-25)23-6-4-3-5-7-23)20-22-8-16-27(17-9-22)35-36(33,34)28-18-14-26(30)15-19-28/h3-19,21H,20H2,1-2H3