1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-fluoranyl-5-methyl-indole-2,3-dione

Systemtic Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-fluoranyl-5-methyl-indole-2,3-dione Openeye Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-fluoro-5-methyl-indoline-2,3-dione CAS Name: 1-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-7-fluoro-5-methylindole-2,3-dione IUPAC Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-fluoro-5-methylindole-2,3-dione Traditional Name: 1-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-7-fluoro-5-methyl-isatin Formula: C20H27FN4O4S MolecularWeight: 438.516183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(=O)N2CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)F

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(=O)N2CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)F

InChI

InChI=1S/C20H27FN4O4S/c1-15-12-16-18(17(21)13-15)25(20(27)19(16)26)14-22-8-10-24(11-9-22)30(28,29)23-6-4-2-3-5-7-23/h12-13H,2-11,14H2,1H3