[(1R)-1-cyanoethyl] 2-bromanyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-bromanyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-1-cyanoethyl] 2-bromo-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-bromo-5-(1-piperidinylsulfonyl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-bromo-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-bromo-5-piperidinosulfonyl-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C15H17BrN2O4S MolecularWeight: 401.27548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Br

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Br

InChI

InChI=1S/C15H17BrN2O4S/c1-11(10-17)22-15(19)13-9-12(5-6-14(13)16)23(20,21)18-7-3-2-4-8-18/h5-6,9,11H,2-4,7-8H2,1H3/t11-/m1/s1