2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H21N3O3S2/c21-13-15-5-1-4-8-19(15)28(25,26)23-11-9-22(10-12-23)20(24)17-14-27-18-7-3-2-6-16(17)18/h1,4-5,8,14H,2-3,6-7,9-12H2