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

Systemtic Name: [3-[[(3-methoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(3-methoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C24H25FN2O5S MolecularWeight: 472.529103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C24H25FN2O5S/c1-17(2)27(24(28)26-20-7-5-8-21(15-20)31-3)16-18-6-4-9-22(14-18)32-33(29,30)23-12-10-19(25)11-13-23/h4-15,17H,16H2,1-3H3,(H,26,28)