[1-(2-bromophenyl)sulfonyl-3-cyclohexylidene-propan-2-yl] benzoate

Systemtic Name: [1-(2-bromophenyl)sulfonyl-3-cyclohexylidene-propan-2-yl] benzoate Openeye Name: [1-[(2-bromophenyl)sulfonylmethyl]-2-cyclohexylidene-ethyl] benzoate CAS Name: benzoic acid [1-(2-bromophenyl)sulfonyl-3-cyclohexylidenepropan-2-yl] ester IUPAC Name: [1-(2-bromophenyl)sulfonyl-3-cyclohexylidenepropan-2-yl] benzoate Traditional Name: benzoic acid [1-[(2-bromophenyl)sulfonylmethyl]-2-cyclohexylidene-ethyl] ester Formula: C22H23BrO4S MolecularWeight: 463.38462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC(CS(=O)(=O)C2=CC=CC=C2Br)OC(=O)C3=CC=CC=C3)CC1

Isomeric SMILES

C1CCC(=CC(CS(=O)(=O)C2=CC=CC=C2Br)OC(=O)C3=CC=CC=C3)CC1

InChI

InChI=1S/C22H23BrO4S/c23-20-13-7-8-14-21(20)28(25,26)16-19(15-17-9-3-1-4-10-17)27-22(24)18-11-5-2-6-12-18/h2,5-8,11-15,19H,1,3-4,9-10,16H2