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

Systemtic Name: cyanomethyl 2-bromanyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: cyanomethyl 2-bromo-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-bromo-5-(1-piperidinylsulfonyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-bromo-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-bromo-5-piperidinosulfonyl-benzoic acid cyanomethyl ester Formula: C14H15BrN2O4S MolecularWeight: 387.2489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O4S/c15-13-5-4-11(10-12(13)14(18)21-9-6-16)22(19,20)17-7-2-1-3-8-17/h4-5,10H,1-3,7-9H2