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

Systemtic Name: [3-[[(3-cyanophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(3-cyanophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(3-cyanoanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3-cyanophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(3-cyanophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C24H22FN3O4S MolecularWeight: 467.512583

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O4S/c1-17(2)28(24(29)27-21-7-3-5-18(13-21)15-26)16-19-6-4-8-22(14-19)32-33(30,31)23-11-9-20(25)10-12-23/h3-14,17H,16H2,1-2H3,(H,27,29)