5-fluoranyl-1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5-fluoranyl-1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]indole-2,3-dione Openeye Name: 5-fluoro-1-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]indoline-2,3-dione CAS Name: 5-fluoro-1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]indole-2,3-dione IUPAC Name: 5-fluoro-1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]indole-2,3-dione Traditional Name: 5-fluoro-1-[(4-tosyl-1,4-diazepan-1-yl)methyl]isatin Formula: C21H22FN3O4S MolecularWeight: 431.480483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CN3C4=C(C=C(C=C4)F)C(=O)C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CN3C4=C(C=C(C=C4)F)C(=O)C3=O

InChI

InChI=1S/C21H22FN3O4S/c1-15-3-6-17(7-4-15)30(28,29)24-10-2-9-23(11-12-24)14-25-19-8-5-16(22)13-18(19)20(26)21(25)27/h3-8,13H,2,9-12,14H2,1H3