ethyl 4-[2-[cyclohexyl-(4-fluorophenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[cyclohexyl-(4-fluorophenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[cyclohexyl-(4-fluorophenyl)sulfonyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[cyclohexyl-(4-fluorophenyl)sulfonyl-amino]acetyl]amino]benzoic acid ethyl ester Formula: C23H27FN2O5S MolecularWeight: 462.534283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN2O5S/c1-2-31-23(28)17-8-12-19(13-9-17)25-22(27)16-26(20-6-4-3-5-7-20)32(29,30)21-14-10-18(24)11-15-21/h8-15,20H,2-7,16H2,1H3,(H,25,27)