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

Systemtic Name: [4-[[(2,3-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(2,3-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(2,3-dimethylanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(2,3-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C25H27FN2O4S MolecularWeight: 470.556283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(C)C)C

InChI

InChI=1S/C25H27FN2O4S/c1-17(2)28(25(29)27-24-7-5-6-18(3)19(24)4)16-20-8-12-22(13-9-20)32-33(30,31)23-14-10-21(26)11-15-23/h5-15,17H,16H2,1-4H3,(H,27,29)