[5-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(2-ethylanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H29FN2O6S MolecularWeight: 516.581663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

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