ethyl 4-[2-[cyclohexyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[cyclohexyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[cyclohexyl(p-tolylsulfonyl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[cyclohexyl(tosyl)amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2CCCCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H33N3O5S/c1-3-30-22(27)24-15-13-23(14-16-24)21(26)17-25(19-7-5-4-6-8-19)31(28,29)20-11-9-18(2)10-12-20/h9-12,19H,3-8,13-17H2,1-2H3