(3,4-dimethylphenyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3,4-dimethylphenyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3,4-dimethylphenyl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (3,4-dimethylphenyl) ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C20H22ClNO4S/c1-14-6-8-17(12-15(14)2)26-20(23)16-7-9-18(21)19(13-16)27(24,25)22-10-4-3-5-11-22/h6-9,12-13H,3-5,10-11H2,1-2H3