[2-methoxy-5-[[pentanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[pentanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isopropyl(pentanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[1-oxopentyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[pentanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isopropyl(valeryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H28FNO5S MolecularWeight: 437.524823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FNO5S/c1-5-6-7-22(25)24(16(2)3)15-17-8-13-20(28-4)21(14-17)29-30(26,27)19-11-9-18(23)10-12-19/h8-14,16H,5-7,15H2,1-4H3