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

Systemtic Name: [3-[[(phenylmethyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[benzylcarbamoyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[oxo-[(phenylmethyl)amino]methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[benzylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[benzylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C24H25FN2O4S MolecularWeight: 456.529703

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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)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H25FN2O4S/c1-18(2)27(24(28)26-16-19-7-4-3-5-8-19)17-20-9-6-10-22(15-20)31-32(29,30)23-13-11-21(25)12-14-23/h3-15,18H,16-17H2,1-2H3,(H,26,28)