4-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-(1-acetyl-5-bromo-indolin-7-yl)sulfonyl-1-phenethyl-piperazine-2,6-dione CAS Name: 4-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-1-phenethylpiperazine-2,6-dione Traditional Name: 4-(1-acetyl-5-bromo-indolin-7-yl)sulfonyl-1-phenethyl-piperazine-2,6-quinone Formula: C22H22BrN3O5S MolecularWeight: 520.39618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4)Br

InChI

InChI=1S/C22H22BrN3O5S/c1-15(27)25-10-8-17-11-18(23)12-19(22(17)25)32(30,31)24-13-20(28)26(21(29)14-24)9-7-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3