5-azanyl-2-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzenecarbonitrile

Systemtic Name: 5-azanyl-2-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzenecarbonitrile Openeye Name: 5-amino-2-(3-oxopiperazin-1-yl)sulfonyl-benzonitrile CAS Name: 5-amino-2-[(3-oxo-1-piperazinyl)sulfonyl]benzonitrile IUPAC Name: 5-amino-2-(3-oxopiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 5-amino-2-(3-ketopiperazino)sulfonyl-benzonitrile Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=C(C=C(C=C2)N)C#N

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=C(C=C(C=C2)N)C#N

InChI

InChI=1S/C11H12N4O3S/c12-6-8-5-9(13)1-2-10(8)19(17,18)15-4-3-14-11(16)7-15/h1-2,5H,3-4,7,13H2,(H,14,16)