(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H32ClNO4S MolecularWeight: 478.04388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C)C(C)(C)C

InChI

InChI=1S/C25H32ClNO4S/c1-17-13-20(25(3,4)5)14-18(2)21(17)16-31-24(28)19-9-10-22(26)23(15-19)32(29,30)27-11-7-6-8-12-27/h9-10,13-15H,6-8,11-12,16H2,1-5H3