(3-cyanophenyl)methyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (3-cyanophenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (3-cyanophenyl)methyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (3-cyanobenzyl) ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20N2O4S/c21-14-16-5-4-6-17(13-16)15-26-20(23)18-7-9-19(10-8-18)27(24,25)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,15H2