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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]indole-2,3-dione Openeye Name: 5-(azepan-1-ylsulfonyl)-1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]indoline-2,3-dione CAS Name: 5-(1-azepanylsulfonyl)-1-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]indole-2,3-dione IUPAC Name: 5-(azepan-1-ylsulfonyl)-1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]indole-2,3-dione Traditional Name: 5-(azepan-1-ylsulfonyl)-1-[[4-(2-fluorophenyl)piperazino]methyl]isatin Formula: C25H29FN4O4S MolecularWeight: 500.585563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CN4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CN4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C25H29FN4O4S/c26-21-7-3-4-8-23(21)28-15-13-27(14-16-28)18-30-22-10-9-19(17-20(22)24(31)25(30)32)35(33,34)29-11-5-1-2-6-12-29/h3-4,7-10,17H,1-2,5-6,11-16,18H2