[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(6-fluoranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(6-fluoranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(6-fluorobenzothiophen-2-yl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-(6-fluoro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-(6-fluorobenzothiophen-2-yl)methanone Formula: C21H21FN2O3S2 MolecularWeight: 432.531443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)C=C(C=C4)F

InChI

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