methyl 4-fluoranyl-3-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanoyl]-1H-indole-7-carboxylate

Systemtic Name: methyl 4-fluoranyl-3-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)ethanoyl]-1H-indole-7-carboxylate Openeye Name: methyl 4-fluoro-3-[2-oxo-2-[4-(1-piperidylsulfonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxylate CAS Name: 3-[1,2-dioxo-2-[4-(1-piperidinylsulfonyl)-1-piperazinyl]ethyl]-4-fluoro-1H-indole-7-carboxylic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[2-oxo-2-(4-piperidin-1-ylsulfonylpiperazin-1-yl)acetyl]-1H-indole-7-carboxylate Traditional Name: 4-fluoro-3-[2-keto-2-(4-piperidinosulfonylpiperazino)acetyl]-1H-indole-7-carboxylic acid methyl ester Formula: C21H25FN4O6S MolecularWeight: 480.509803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=C(C=C1)F)C(=CN2)C(=O)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=C2C(=C(C=C1)F)C(=CN2)C(=O)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H25FN4O6S/c1-32-21(29)14-5-6-16(22)17-15(13-23-18(14)17)19(27)20(28)24-9-11-26(12-10-24)33(30,31)25-7-3-2-4-8-25/h5-6,13,23H,2-4,7-12H2,1H3