(3-cyanophenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-cyanophenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-cyanophenyl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (3-cyanobenzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H22N2O4S/c1-16-8-9-19(28(25,26)23-10-3-2-4-11-23)13-20(16)21(24)27-15-18-7-5-6-17(12-18)14-22/h5-9,12-13H,2-4,10-11,15H2,1H3