4-[4-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(3-keto-4H-1,4-benzothiazin-2-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2C(=O)NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2C(=O)NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H20N4O4S2/c22-14-15-5-7-16(8-6-15)31(28,29)25-11-9-24(10-12-25)20(26)13-19-21(27)23-17-3-1-2-4-18(17)30-19/h1-8,19H,9-13H2,(H,23,27)