[3-[[butan-2-yl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[butan-2-yl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[(3,5-dimethoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(3,5-dimethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C26H29FN2O6S MolecularWeight: 516.581663

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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)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)OC

InChI

InChI=1S/C26H29FN2O6S/c1-5-18(2)29(26(30)28-21-14-23(33-3)16-24(15-21)34-4)17-19-7-6-8-22(13-19)35-36(31,32)25-11-9-20(27)10-12-25/h6-16,18H,5,17H2,1-4H3,(H,28,30)