(4-methoxycarbonylphenyl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (4-carbomethoxybenzyl) ester Formula: C21H22ClNO6S MolecularWeight: 451.92048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO6S/c1-28-20(24)16-7-5-15(6-8-16)14-29-21(25)18-13-17(9-10-19(18)22)30(26,27)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3