[4-[[3,5-bis(fluoranyl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[3,5-bis(fluoranyl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(3,5-difluorophenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(3,5-difluorophenyl)methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(3,5-difluorophenyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(3,5-difluorobenzyl)carbamoyl]phenyl] ester Formula: C20H14F2N2O6S MolecularWeight: 448.396766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC(=CC(=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC(=CC(=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H14F2N2O6S/c21-15-8-13(9-16(22)10-15)12-23-20(25)14-4-6-18(7-5-14)30-31(28,29)19-3-1-2-17(11-19)24(26)27/h1-11H,12H2,(H,23,25)