(4-propan-2-ylphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-isopropylphenyl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (4-isopropylbenzyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-17(2)19-11-9-18(10-12-19)16-27-22(24)20-7-6-8-21(15-20)28(25,26)23-13-4-3-5-14-23/h6-12,15,17H,3-5,13-14,16H2,1-2H3