[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 1-(4-bromophenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-brosylcyclopentanecarboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H26BrNO5S MolecularWeight: 472.39314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H26BrNO5S/c21-16-7-9-17(10-8-16)28(25,26)20(11-3-4-12-20)19(24)27-15-18(23)22-13-5-1-2-6-14-22/h7-10H,1-6,11-15H2