1-(4-fluoranyl-2-methyl-phenyl)-2-methyl-N-(3-methylbutyl)-4-(4-methylphenyl)sulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 1-(4-fluoranyl-2-methyl-phenyl)-2-methyl-N-(3-methylbutyl)-4-(4-methylphenyl)sulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(4-fluoro-2-methyl-phenyl)-N-isopentyl-2-methyl-6-oxo-4-(p-tolylsulfonyl)piperazine-2-carboxamide CAS Name: 1-(4-fluoro-2-methylphenyl)-2-methyl-N-(3-methylbutyl)-4-(4-methylphenyl)sulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(4-fluoro-2-methylphenyl)-2-methyl-N-(3-methylbutyl)-4-(4-methylphenyl)sulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-(4-fluoro-2-methyl-phenyl)-N-isoamyl-6-keto-2-methyl-4-tosyl-piperazine-2-carboxamide Formula: C25H32FN3O4S MolecularWeight: 489.602683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32FN3O4S/c1-17(2)12-13-27-24(31)25(5)16-28(34(32,33)21-9-6-18(3)7-10-21)15-23(30)29(25)22-11-8-20(26)14-19(22)4/h6-11,14,17H,12-13,15-16H2,1-5H3,(H,27,31)