2-[4-[2-(6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(6-chloro-3-keto-4H-1,4-benzothiazin-2-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C21H19ClN4O4S2 MolecularWeight: 490.98296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H19ClN4O4S2/c22-15-5-6-17-16(11-15)24-21(28)18(31-17)12-20(27)25-7-9-26(10-8-25)32(29,30)19-4-2-1-3-14(19)13-23/h1-6,11,18H,7-10,12H2,(H,24,28)