(4-ethyl-2-oxidanylidene-chromen-7-yl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (4-ethyl-2-oxidanylidene-chromen-7-yl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate Openeye Name: (4-ethyl-2-oxo-chromen-7-yl) 1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxylate CAS Name: 1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxylic acid (4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-ethyl-2-oxochromen-7-yl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-[(5-methyl-2-thienyl)sulfonyl]nipecotic acid (4-ethyl-2-keto-chromen-7-yl) ester Formula: C22H23NO6S2 MolecularWeight: 461.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)C

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)C

InChI

InChI=1S/C22H23NO6S2/c1-3-15-11-20(24)29-19-12-17(7-8-18(15)19)28-22(25)16-5-4-10-23(13-16)31(26,27)21-9-6-14(2)30-21/h6-9,11-12,16H,3-5,10,13H2,1-2H3