[3-[[2-methoxyethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methoxyethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-isopropylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-[oxo-(4-propan-2-ylanilino)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(p-cumenylcarbamoyl)amino]methyl]phenyl] ester Formula: C26H29FN2O5S MolecularWeight: 500.582263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H29FN2O5S/c1-19(2)21-7-11-23(12-8-21)28-26(30)29(15-16-33-3)18-20-5-4-6-24(17-20)34-35(31,32)25-13-9-22(27)10-14-25/h4-14,17,19H,15-16,18H2,1-3H3,(H,28,30)