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

Systemtic Name: (2,5-dimethylphenyl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2,5-dimethylphenyl)methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (2,5-dimethylbenzyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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