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

Systemtic Name: ethyl 4-[[(4-fluoranyl-3-methyl-phenyl)sulfonyl-(phenylmethyl)amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[benzyl-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-fluoro-3-methylphenyl)sulfonyl-(phenylmethyl)amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[benzyl-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C24H30FNO4S MolecularWeight: 447.562703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO4S/c1-3-30-24(27)21-11-9-20(10-12-21)17-26(16-19-7-5-4-6-8-19)31(28,29)22-13-14-23(25)18(2)15-22/h4-8,13-15,20-21H,3,9-12,16-17H2,1-2H3