2-[4-(2,3-dihydro-1-benzofuran-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,3-dihydrobenzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2,3-dihydrobenzofuran-2-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(coumaran-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2CC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H19N3O4S/c21-14-16-6-2-4-8-19(16)28(25,26)23-11-9-22(10-12-23)20(24)18-13-15-5-1-3-7-17(15)27-18/h1-8,18H,9-13H2