ethyl 4-[[(4-fluoranyl-3-methyl-phenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(4-fluoranyl-3-methyl-phenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-fluoro-3-methyl-phenyl)sulfonyl-(o-tolylmethyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-fluoro-3-methylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-fluoro-3-methylphenyl)sulfonyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-fluoro-3-methyl-phenyl)sulfonyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C25H32FNO4S MolecularWeight: 461.589283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=CC(=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=CC=C2C)S(=O)(=O)C3=CC(=C(C=C3)F)C

InChI

InChI=1S/C25H32FNO4S/c1-4-31-25(28)21-11-9-20(10-12-21)16-27(17-22-8-6-5-7-18(22)2)32(29,30)23-13-14-24(26)19(3)15-23/h5-8,13-15,20-21H,4,9-12,16-17H2,1-3H3