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

Systemtic Name: phenyl 2-bromanyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: phenyl 2-bromo-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-bromo-5-(1-piperidinylsulfonyl)benzoic acid phenyl ester IUPAC Name: phenyl 2-bromo-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-bromo-5-piperidinosulfonyl-benzoic acid phenyl ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H18BrNO4S/c19-17-10-9-15(25(22,23)20-11-5-2-6-12-20)13-16(17)18(21)24-14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2