(4-ethyl-2-oxidanylidene-chromen-7-yl) 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: (4-ethyl-2-oxidanylidene-chromen-7-yl) 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate Openeye Name: (4-ethyl-2-oxo-chromen-7-yl) 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid (4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-ethyl-2-oxochromen-7-yl) 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butyric acid (4-ethyl-2-keto-chromen-7-yl) ester Formula: C22H22FNO6S MolecularWeight: 447.476583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FNO6S/c1-3-15-13-22(26)30-20-14-17(8-11-19(15)20)29-21(25)5-4-12-24(2)31(27,28)18-9-6-16(23)7-10-18/h6-11,13-14H,3-5,12H2,1-2H3