2-[4-(azetidin-1-ylcarbonyl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(azetidin-1-ylcarbonyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-(azetidine-1-carbonyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-[1-azetidinyl(oxo)methyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(azetidine-1-carbonyl)piperidino]sulfonylbenzonitrile Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H19N3O3S/c17-12-14-4-1-2-5-15(14)23(21,22)19-10-6-13(7-11-19)16(20)18-8-3-9-18/h1-2,4-5,13H,3,6-11H2