[5-[[(4-hexylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(4-hexylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-hexylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(4-hexylphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-hexylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-hexylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C30H36FNO6S MolecularWeight: 557.673343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C30H36FNO6S/c1-4-5-6-7-8-23-9-12-25(13-10-23)30(33)32(19-20-36-2)22-24-11-18-28(37-3)29(21-24)38-39(34,35)27-16-14-26(31)15-17-27/h9-18,21H,4-8,19-20,22H2,1-3H3