(2-azanyl-2-oxidanylidene-ethyl) 2-bromanyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-bromanyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-bromo-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-bromo-5-(1-piperidinylsulfonyl)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-bromo-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-bromo-5-piperidinosulfonyl-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C14H17BrN2O5S MolecularWeight: 405.26418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OCC(=O)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OCC(=O)N

InChI

InChI=1S/C14H17BrN2O5S/c15-12-5-4-10(8-11(12)14(19)22-9-13(16)18)23(20,21)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H2,16,18)