2-[4-(6-chloranyl-2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(6-chloranyl-2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(6-chloro-2-keto-4H-3,1-benzoxazin-1-yl)piperidino]sulfonylbenzonitrile Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H18ClN3O4S/c21-16-5-6-18-15(11-16)13-28-20(25)24(18)17-7-9-23(10-8-17)29(26,27)19-4-2-1-3-14(19)12-22/h1-6,11,17H,7-10,13H2