(1-cyanoindolizin-2-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C22H20ClN3O4S/c23-20-8-7-17(31(28,29)26-10-3-1-4-11-26)12-18(20)22(27)30-15-16-14-25-9-5-2-6-21(25)19(16)13-24/h2,5-9,12,14H,1,3-4,10-11,15H2