2-[4-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-fluoro-3-methyl-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-fluoro-3-methyl-benzothiophene-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H18FN3O3S2 MolecularWeight: 443.514323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H18FN3O3S2/c1-14-19-16(22)6-4-7-17(19)29-20(14)21(26)24-9-11-25(12-10-24)30(27,28)18-8-3-2-5-15(18)13-23/h2-8H,9-12H2,1H3