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

Systemtic Name: [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[ethylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[ethylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H25FN2O5S MolecularWeight: 424.486303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2O5S/c1-5-22-20(24)23(14(2)3)13-15-6-11-18(27-4)19(12-15)28-29(25,26)17-9-7-16(21)8-10-17/h6-12,14H,5,13H2,1-4H3,(H,22,24)