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

Systemtic Name: [3-[[butan-2-yl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-pentylbenzoyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[oxo-(4-pentylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(4-pentylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-amylbenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C29H34FNO4S MolecularWeight: 511.647963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)CC

InChI

InChI=1S/C29H34FNO4S/c1-4-6-7-9-23-12-14-25(15-13-23)29(32)31(22(3)5-2)21-24-10-8-11-27(20-24)35-36(33,34)28-18-16-26(30)17-19-28/h8,10-20,22H,4-7,9,21H2,1-3H3