[5-[[butan-2-yl-[(phenylmethyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[butan-2-yl-[(phenylmethyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[benzylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[benzylcarbamoyl(butan-2-yl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[benzylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H29FN2O5S MolecularWeight: 500.582263

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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)NCC3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H29FN2O5S/c1-4-19(2)29(26(30)28-17-20-8-6-5-7-9-20)18-21-10-15-24(33-3)25(16-21)34-35(31,32)23-13-11-22(27)12-14-23/h5-16,19H,4,17-18H2,1-3H3,(H,28,30)