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

Systemtic Name: [3-[[(4-methylsulfanylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[[4-(methylthio)anilino]-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C24H25FN2O4S2 MolecularWeight: 488.594703

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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=C(C=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN2O4S2/c1-17(2)27(24(28)26-20-9-11-22(32-3)12-10-20)16-18-5-4-6-21(15-18)31-33(29,30)23-13-7-19(25)8-14-23/h4-15,17H,16H2,1-3H3,(H,26,28)