[3-[[butan-2-yl-(2-fluorophenyl)carbonyl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [3-[[butan-2-yl-(2-fluorophenyl)carbonyl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [3-[[(2-fluorobenzoyl)-sec-butyl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-[[butan-2-yl-[(2-fluorophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(2-fluorobenzoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [3-[[(2-fluorobenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C26H27FN2O5S MolecularWeight: 498.566383

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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)NC(=O)C)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C26H27FN2O5S/c1-4-18(2)29(26(31)24-10-5-6-11-25(24)27)17-20-8-7-9-22(16-20)34-35(32,33)23-14-12-21(13-15-23)28-19(3)30/h5-16,18H,4,17H2,1-3H3,(H,28,30)