4-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoranyl-phenyl]carbonyl-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoranyl-phenyl]carbonyl-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-[5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-fluoro-benzoyl]-1-phenethyl-piperazine-2,6-dione CAS Name: 4-[[5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-fluorophenyl]-oxomethyl]-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzoyl]-1-phenethylpiperazine-2,6-dione Traditional Name: 4-[5-(3,5-dimethylpiperidino)sulfonyl-2-fluoro-benzoyl]-1-phenethyl-piperazine-2,6-quinone Formula: C26H30FN3O5S MolecularWeight: 515.596903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H30FN3O5S/c1-18-12-19(2)15-29(14-18)36(34,35)21-8-9-23(27)22(13-21)26(33)28-16-24(31)30(25(32)17-28)11-10-20-6-4-3-5-7-20/h3-9,13,18-19H,10-12,14-17H2,1-2H3