N-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-4-methyl-thiophen-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-4-methyl-thiophen-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-4-methyl-2-thienyl]-2,2-dimethyl-propanamide CAS Name: N-[5-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-4-methyl-2-thiophenyl]-2,2-dimethylpropanamide IUPAC Name: N-[5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[5-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-4-methyl-2-thienyl]-2,2-dimethyl-propionamide Formula: C21H26FN3O4S2 MolecularWeight: 467.577243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O4S2/c1-14-13-17(23-20(27)21(2,3)4)30-18(14)19(26)24-9-11-25(12-10-24)31(28,29)16-7-5-15(22)6-8-16/h5-8,13H,9-12H2,1-4H3,(H,23,27)