[(1S)-7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [(1S)-7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate Openeye Name: [(1S)-7-fluoro-1-methyl-3-oxo-indan-4-yl] 3-(3-oxopiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid [(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl] 3-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(3-ketopiperazino)sulfonylbenzoic acid [(1S)-7-fluoro-3-keto-1-methyl-indan-4-yl] ester Formula: C21H19FN2O6S MolecularWeight: 446.448763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C21H19FN2O6S/c1-12-9-16(25)20-17(6-5-15(22)19(12)20)30-21(27)13-3-2-4-14(10-13)31(28,29)24-8-7-23-18(26)11-24/h2-6,10,12H,7-9,11H2,1H3,(H,23,26)/t12-/m0/s1