[4-[[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-isopropylphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-[oxo-(4-propan-2-ylanilino)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[p-cumenylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C27H31FN2O4S MolecularWeight: 498.609443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C27H31FN2O4S/c1-5-20(4)30(27(31)29-24-12-8-22(9-13-24)19(2)3)18-21-6-14-25(15-7-21)34-35(32,33)26-16-10-23(28)11-17-26/h6-17,19-20H,5,18H2,1-4H3,(H,29,31)