(2-cyanophenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-cyanophenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-cyanophenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-cyanophenyl) ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C#N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C#N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H20N2O4S/c1-15-9-10-16(20(23)26-18-8-4-3-7-17(18)14-21)13-19(15)27(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3