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

Systemtic Name: [3-[[2-methoxyethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-[[4-(methylthio)anilino]-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C24H25FN2O5S2 MolecularWeight: 504.594103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN2O5S2/c1-31-15-14-27(24(28)26-20-8-10-22(33-2)11-9-20)17-18-4-3-5-21(16-18)32-34(29,30)23-12-6-19(25)7-13-23/h3-13,16H,14-15,17H2,1-2H3,(H,26,28)