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

Systemtic Name: [5-[[butan-2-yl-(2,4-dimethoxyphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(2,4-dimethoxybenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[(2,4-dimethoxyphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(2,4-dimethoxybenzoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(2,4-dimethoxybenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C27H30FNO7S MolecularWeight: 531.593003

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H30FNO7S/c1-6-18(2)29(27(30)23-13-10-21(33-3)16-25(23)35-5)17-19-7-14-24(34-4)26(15-19)36-37(31,32)22-11-8-20(28)9-12-22/h7-16,18H,6,17H2,1-5H3