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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C19H22ClNO6S MolecularWeight: 427.89908

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C19H22ClNO6S/c1-3-28(24,25)21-6-4-13(5-7-21)19(23)26-11-14-9-18(22)27-17-8-12(2)16(20)10-15(14)17/h8-10,13H,3-7,11H2,1-2H3