(7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) 1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxylate CAS Name: 1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxylic acid (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-[(5-methyl-2-thienyl)sulfonyl]nipecotic acid (7-fluoro-3-keto-1-methyl-indan-4-yl) ester Formula: C21H22FNO5S2 MolecularWeight: 451.531483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)C

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)C

InChI

InChI=1S/C21H22FNO5S2/c1-12-10-16(24)20-17(7-6-15(22)19(12)20)28-21(25)14-4-3-9-23(11-14)30(26,27)18-8-5-13(2)29-18/h5-8,12,14H,3-4,9-11H2,1-2H3