[3-[[(2-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [3-[[(2-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [3-[[(2-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-[[[(2-fluorophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2-fluorobenzoyl)-propan-2-ylamino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [3-[[(2-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C25H25FN2O5S MolecularWeight: 484.539803

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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)NC(=O)C)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C25H25FN2O5S/c1-17(2)28(25(30)23-9-4-5-10-24(23)26)16-19-7-6-8-21(15-19)33-34(31,32)22-13-11-20(12-14-22)27-18(3)29/h4-15,17H,16H2,1-3H3,(H,27,29)