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

Systemtic Name: [3-[[butan-2-yl-(2,4-dimethoxyphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2,4-dimethoxybenzoyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[(2,4-dimethoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(2,4-dimethoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2,4-dimethoxybenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C26H28FNO6S MolecularWeight: 501.567023

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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=C(C=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H28FNO6S/c1-5-18(2)28(26(29)24-14-11-21(32-3)16-25(24)33-4)17-19-7-6-8-22(15-19)34-35(30,31)23-12-9-20(27)10-13-23/h6-16,18H,5,17H2,1-4H3