methyl 3-[2-[4-(azetidin-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-4-fluoranyl-1H-indole-7-carboxylate

Systemtic Name: methyl 3-[2-[4-(azetidin-1-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-4-fluoranyl-1H-indole-7-carboxylate Openeye Name: methyl 3-[2-[4-(azetidin-1-ylsulfonyl)piperazin-1-yl]-2-oxo-acetyl]-4-fluoro-1H-indole-7-carboxylate CAS Name: 3-[2-[4-(1-azetidinylsulfonyl)-1-piperazinyl]-1,2-dioxoethyl]-4-fluoro-1H-indole-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[4-(azetidin-1-ylsulfonyl)piperazin-1-yl]-2-oxoacetyl]-4-fluoro-1H-indole-7-carboxylate Traditional Name: 3-[2-[4-(azetidin-1-ylsulfonyl)piperazino]-2-keto-acetyl]-4-fluoro-1H-indole-7-carboxylic acid methyl ester Formula: C19H21FN4O6S MolecularWeight: 452.456643

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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)N4CCC4

Isomeric SMILES

COC(=O)C1=C2C(=C(C=C1)F)C(=CN2)C(=O)C(=O)N3CCN(CC3)S(=O)(=O)N4CCC4

InChI

InChI=1S/C19H21FN4O6S/c1-30-19(27)12-3-4-14(20)15-13(11-21-16(12)15)17(25)18(26)22-7-9-24(10-8-22)31(28,29)23-5-2-6-23/h3-4,11,21H,2,5-10H2,1H3