(5-chloranyl-2-methoxy-phenyl)methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 1-indan-5-ylsulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinecarboxylic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-indan-5-ylsulfonylisonipecotic acid (5-chloro-2-methoxy-benzyl) ester Formula: C23H26ClNO5S MolecularWeight: 463.97424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H26ClNO5S/c1-29-22-8-6-20(24)13-19(22)15-30-23(26)17-9-11-25(12-10-17)31(27,28)21-7-5-16-3-2-4-18(16)14-21/h5-8,13-14,17H,2-4,9-12,15H2,1H3