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

Systemtic Name: (3,5-dimethylphenyl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3,5-dimethylphenyl)methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (3,5-dimethylbenzyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4S/c1-15-10-16(2)12-17(11-15)14-27-21(24)18-6-7-19(22)20(13-18)28(25,26)23-8-4-3-5-9-23/h6-7,10-13H,3-5,8-9,14H2,1-2H3