[3-[[2-methylpropyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methylpropyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isobutyl-(4-phenylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methylpropyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(4-phenylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isobutyl-(4-phenylbenzoyl)amino]methyl]phenyl] ester Formula: C30H28FNO4S MolecularWeight: 517.611023

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H28FNO4S/c1-22(2)20-32(30(33)26-13-11-25(12-14-26)24-8-4-3-5-9-24)21-23-7-6-10-28(19-23)36-37(34,35)29-17-15-27(31)16-18-29/h3-19,22H,20-21H2,1-2H3