[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-[(4-fluorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(4-fluorophenyl)sulfonyl-methylamino]phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C20H14ClFN2O6S MolecularWeight: 464.851363

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H14ClFN2O6S/c1-23(31(28,29)17-9-2-13(22)3-10-17)14-4-7-16(8-5-14)30-20(25)18-11-6-15(24(26)27)12-19(18)21/h2-12H,1H3