[3-[[butan-2-yl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[butan-2-yl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2-ethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[(2-ethoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[o-phenetylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C26H29FN2O5S MolecularWeight: 500.582263

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3OCC

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3OCC

InChI

InChI=1S/C26H29FN2O5S/c1-4-19(3)29(26(30)28-24-11-6-7-12-25(24)33-5-2)18-20-9-8-10-22(17-20)34-35(31,32)23-15-13-21(27)14-16-23/h6-17,19H,4-5,18H2,1-3H3,(H,28,30)