[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-[cyclohexyl(methyl)amino]-2-oxo-ethyl] 1-(4-bromophenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-[cyclohexyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-brosylcyclopentanecarboxylic acid [2-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H28BrNO5S MolecularWeight: 486.41972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C1CCCCC1)C(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H28BrNO5S/c1-23(17-7-3-2-4-8-17)19(24)15-28-20(25)21(13-5-6-14-21)29(26,27)18-11-9-16(22)10-12-18/h9-12,17H,2-8,13-15H2,1H3