ethyl 3-(4-fluorophenyl)-3-[1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]propanoate

Systemtic Name: ethyl 3-(4-fluorophenyl)-3-[1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]propanoate Openeye Name: ethyl 3-(4-fluorophenyl)-3-[1-(4-methyl-3-nitro-phenyl)sulfonyl-4-piperidyl]propanoate CAS Name: 3-(4-fluorophenyl)-3-[1-(4-methyl-3-nitrophenyl)sulfonyl-4-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-3-[1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]propanoate Traditional Name: 3-(4-fluorophenyl)-3-[1-(4-methyl-3-nitro-phenyl)sulfonyl-4-piperidyl]propionic acid ethyl ester Formula: C23H27FN2O6S MolecularWeight: 478.533683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CC(C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN2O6S/c1-3-32-23(27)15-21(17-5-7-19(24)8-6-17)18-10-12-25(13-11-18)33(30,31)20-9-4-16(2)22(14-20)26(28)29/h4-9,14,18,21H,3,10-13,15H2,1-2H3