(2,3,6-trimethylphenyl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2,3,6-trimethylphenyl) 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4S/c1-14-7-8-15(2)20(16(14)3)27-21(24)18-13-17(9-10-19(18)22)28(25,26)23-11-5-4-6-12-23/h7-10,13H,4-6,11-12H2,1-3H3