(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C20H24ClNO6S MolecularWeight: 441.92566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)CC)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)CC)Cl

InChI

InChI=1S/C20H24ClNO6S/c1-3-13-9-18-16(11-17(13)21)15(10-19(23)28-18)12-27-20(24)14-5-7-22(8-6-14)29(25,26)4-2/h9-11,14H,3-8,12H2,1-2H3