(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(3-chloro-6-fluoro-benzothiophen-2-yl)methanone CAS Name: (3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(3-chloro-6-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(3-chloro-6-fluoro-benzothiophen-2-yl)methanone Formula: C20H18ClFN2O3S2 MolecularWeight: 452.949923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H18ClFN2O3S2/c21-18-16-7-6-15(22)12-17(16)28-19(18)20(25)23-8-10-24(11-9-23)29(26,27)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2