ethyl 4-[[(4-fluoranyl-3-methyl-phenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(4-fluoranyl-3-methyl-phenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-fluoro-3-methyl-phenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-fluoro-3-methylphenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-fluoro-3-methylphenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-fluoro-3-methyl-phenyl)sulfonyl-p-anisyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C25H32FNO5S MolecularWeight: 477.588683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)F)C

InChI

InChI=1S/C25H32FNO5S/c1-4-32-25(28)21-9-5-19(6-10-21)16-27(17-20-7-11-22(31-3)12-8-20)33(29,30)23-13-14-24(26)18(2)15-23/h7-8,11-15,19,21H,4-6,9-10,16-17H2,1-3H3