4-(5-bromanyl-2-methoxy-phenyl)sulfonyl-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-(5-bromanyl-2-methoxy-phenyl)sulfonyl-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-(5-bromo-2-methoxy-phenyl)sulfonyl-1-phenethyl-piperazine-2,6-dione CAS Name: 4-(5-bromo-2-methoxyphenyl)sulfonyl-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-(5-bromo-2-methoxyphenyl)sulfonyl-1-phenethylpiperazine-2,6-dione Traditional Name: 4-(5-bromo-2-methoxy-phenyl)sulfonyl-1-phenethyl-piperazine-2,6-quinone Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H19BrN2O5S/c1-27-16-8-7-15(20)11-17(16)28(25,26)21-12-18(23)22(19(24)13-21)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3