[4-(cyanomethyl)phenyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [4-(cyanomethyl)phenyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [4-(cyanomethyl)phenyl] 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)OC3=CC=C(C=C3)CC#N

Isomeric SMILES

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

InChI

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