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

Systemtic Name: [3-[[butan-2-yl-[(3-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(3-methoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[(3-methoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(3-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(3-methoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C25H27FN2O5S MolecularWeight: 486.555683

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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=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN2O5S/c1-4-18(2)28(25(29)27-21-8-6-9-22(16-21)32-3)17-19-7-5-10-23(15-19)33-34(30,31)24-13-11-20(26)12-14-24/h5-16,18H,4,17H2,1-3H3,(H,27,29)