(7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic 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) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (7-fluoro-3-keto-1-methyl-indan-4-yl) ester Formula: C24H26FNO6S MolecularWeight: 475.529743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H26FNO6S/c1-15-13-18(27)23-20(10-8-17(25)22(15)23)32-24(28)16-7-9-19(31-2)21(14-16)33(29,30)26-11-5-3-4-6-12-26/h7-10,14-15H,3-6,11-13H2,1-2H3