2-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]sulfonylbenzonitrile Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)S(=O)(=O)C4=CC=CC=C4C#N

InChI

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