4-(2,5-dimethylphenyl)sulfonyl-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-1-phenethyl-piperazine-2,6-dione CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-1-phenethylpiperazine-2,6-dione Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-1-phenethyl-piperazine-2,6-quinone Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC(=O)N(C(=O)C2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-15-8-9-16(2)18(12-15)27(25,26)21-13-19(23)22(20(24)14-21)11-10-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3