(2-chloranyl-4-cyano-phenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-chloro-4-cyano-phenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-chloro-4-cyano-phenyl) ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C#N)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C#N)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H19ClN2O4S/c1-14-5-7-16(12-19(14)28(25,26)23-9-3-2-4-10-23)20(24)27-18-8-6-15(13-22)11-17(18)21/h5-8,11-12H,2-4,9-10H2,1H3