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

Systemtic Name: (4-cyanophenyl) 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-cyanophenyl) 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (4-cyanophenyl) ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N2O4S/c1-15-5-10-18(27(24,25)22-11-3-2-4-12-22)13-19(15)20(23)26-17-8-6-16(14-21)7-9-17/h5-10,13H,2-4,11-12H2,1H3