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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-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-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H22ClNO6S2 MolecularWeight: 495.99618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C22H22ClNO6S2/c1-2-14-10-19-17(12-18(14)23)16(11-20(25)30-19)13-29-22(26)15-5-7-24(8-6-15)32(27,28)21-4-3-9-31-21/h3-4,9-12,15H,2,5-8,13H2,1H3