4-[[(4-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(4-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(4-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-fluorophenyl)methyl-(4-nitrophenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(4-fluorophenyl)methyl-(4-nitrophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-fluorobenzyl)-nosyl-amino]methyl]cyclohexanecarboxylate Formula: C21H22FN2O6S- MolecularWeight: 449.472583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN(CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CN(CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H23FN2O6S/c22-18-7-3-16(4-8-18)14-23(13-15-1-5-17(6-2-15)21(25)26)31(29,30)20-11-9-19(10-12-20)24(27)28/h3-4,7-12,15,17H,1-2,5-6,13-14H2,(H,25,26)/p-1