(2,3,6-trimethylphenyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2,3,6-trimethylphenyl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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