N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-3-fluoro-benzamide CAS Name: N-[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-3-fluorobenzamide IUPAC Name: N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-3-fluorobenzamide Traditional Name: N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]-3-fluoro-benzamide Formula: C21H24FN3O4S MolecularWeight: 433.496363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O4S/c1-15-6-7-16(2)19(12-15)30(28,29)25-10-8-24(9-11-25)20(26)14-23-21(27)17-4-3-5-18(22)13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,27)