[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[ethyl-[(3-fluorophenyl)methyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[ethyl-(3-fluorobenzyl)carbamoyl]phenyl] ester Formula: C22H19FN2O6S MolecularWeight: 458.459463

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19FN2O6S/c1-2-24(15-16-5-3-6-18(23)13-16)22(26)17-9-11-20(12-10-17)31-32(29,30)21-8-4-7-19(14-21)25(27)28/h3-14H,2,15H2,1H3