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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(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

CCC(C)N(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/c1-3-22(2)32(30(33)26-14-12-25(13-15-26)24-9-5-4-6-10-24)21-23-8-7-11-28(20-23)36-37(34,35)29-18-16-27(31)17-19-29/h4-20,22H,3,21H2,1-2H3