[5-[[2-dimethylaminoethyl-(2-fluorophenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [5-[[2-dimethylaminoethyl-(2-fluorophenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-[[2-dimethylaminoethyl-[(2-fluorophenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]-2-methoxyphenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[2-dimethylaminoethyl-(2-fluorobenzoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H29FN2O6S MolecularWeight: 516.581663

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CN(C)CCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C26H29FN2O6S/c1-28(2)15-16-29(26(30)22-7-5-6-8-23(22)27)18-19-9-14-24(34-4)25(17-19)35-36(31,32)21-12-10-20(33-3)11-13-21/h5-14,17H,15-16,18H2,1-4H3