3-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(tetrahydrofuran-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H19N3O4S/c17-12-13-3-1-4-14(11-13)24(21,22)19-8-6-18(7-9-19)16(20)15-5-2-10-23-15/h1,3-4,11,15H,2,5-10H2