2-oxidanylidenepropyl 2-bromanyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-oxidanylidenepropyl 2-bromanyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: acetonyl 2-bromo-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-bromo-5-(1-piperidinylsulfonyl)benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-bromo-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-bromo-5-piperidinosulfonyl-benzoic acid acetonyl ester Formula: C15H18BrNO5S MolecularWeight: 404.27612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Br

Isomeric SMILES

CC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Br

InChI

InChI=1S/C15H18BrNO5S/c1-11(18)10-22-15(19)13-9-12(5-6-14(13)16)23(20,21)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3