[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-fluorobenzothiophen-2-yl)methanone CAS Name: [4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-(4-fluoro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(2,4-dimethylphenyl)sulfonylpiperazino]-(4-fluorobenzothiophen-2-yl)methanone Formula: C21H21FN2O3S2 MolecularWeight: 432.531443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F)C

InChI

InChI=1S/C21H21FN2O3S2/c1-14-6-7-20(15(2)12-14)29(26,27)24-10-8-23(9-11-24)21(25)19-13-16-17(22)4-3-5-18(16)28-19/h3-7,12-13H,8-11H2,1-2H3