cyanomethyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: cyanomethyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: cyanomethyl 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid cyanomethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC#N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC#N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H25N3O4S/c20-9-14-26-19(23)16-7-8-17(21-10-3-1-4-11-21)18(15-16)27(24,25)22-12-5-2-6-13-22/h7-8,15H,1-6,10-14H2