(3,4-dimethylphenyl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3,4-dimethylphenyl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3,4-dimethylphenyl) 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-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=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C

Isomeric SMILES

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

InChI

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